data_exp_1272
_audit_creation_date              2018-02-27
_audit_creation_method
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_shelx_SHELXL_version_number      '2017/1'
_publ_contact_author_address      ?
_publ_contact_author_email        ?
_publ_contact_author_id_orcid     ?
_publ_contact_author_name         ''
_publ_contact_author_phone        ?
_publ_section_references
;
Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. & Puschmann, H.
 (2009), J. Appl. Cryst. 42, 339-341.

Sheldrick, G.M. (2015). Acta Cryst. A71, 3-8.

Sheldrick, G.M. (2015). Acta Cryst. C71, 3-8.
;
_chemical_name_common             ?
_chemical_name_systematic         ?
_chemical_formula_moiety          'C26 H20 F3 N O2, C2 H3 N'
_chemical_formula_sum             'C28 H23 F3 N2 O2'
_chemical_formula_weight          476.48
_chemical_melting_point           ?
loop_
  _atom_type_symbol
  _atom_type_description
  _atom_type_scat_dispersion_real
  _atom_type_scat_dispersion_imag
  _atom_type_scat_source
 'C' 'C' 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'F' 'F' 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'N' 'N' 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'O' 'O' 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system       'monoclinic'
_space_group_IT_number            15
_space_group_name_H-M_alt         'C 1 2/c 1'
_space_group_name_Hall            '-C 2yc'
loop_
  _space_group_symop_operation_xyz
 'x, y, z'
 '-x, y, -z+1/2'
 'x+1/2, y+1/2, z'
 '-x+1/2, y+1/2, -z+1/2'
 '-x, -y, -z'
 'x, -y, z-1/2'
 '-x+1/2, -y+1/2, -z'
 'x+1/2, -y+1/2, z-1/2'

_cell_length_a                    29.6415(5)
_cell_length_b                    8.72785(14)
_cell_length_c                    18.2127(3)
_cell_angle_alpha                 90
_cell_angle_beta                  90.6805(14)
_cell_angle_gamma                 90
_cell_volume                      4711.42(13)
_cell_formula_units_Z             8
_cell_measurement_reflns_used     5794
_cell_measurement_temperature     100.00(10)
_cell_measurement_theta_max       73.7050
_cell_measurement_theta_min       2.4160
_shelx_estimated_absorpt_T_max    ?
_shelx_estimated_absorpt_T_min    ?
_exptl_absorpt_coefficient_mu     0.846
_exptl_absorpt_correction_T_max   1.00000
_exptl_absorpt_correction_T_min   0.53257
_exptl_absorpt_correction_type    multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.43f (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details    ?
_exptl_crystal_colour             red
_exptl_crystal_colour_primary     red
_exptl_crystal_density_diffrn     1.343
_exptl_crystal_density_meas       ?
_exptl_crystal_density_method     ?
_exptl_crystal_description        block
_exptl_crystal_F_000              1984
_exptl_crystal_size_max           0.13
_exptl_crystal_size_mid           0.12
_exptl_crystal_size_min           0.11
_exptl_transmission_factor_max    ?
_exptl_transmission_factor_min    ?
_diffrn_reflns_av_R_equivalents   0.0305
_diffrn_reflns_av_unetI/netI      0.0342
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.974
_diffrn_reflns_limit_h_max        35
_diffrn_reflns_limit_h_min        -36
_diffrn_reflns_limit_k_max        10
_diffrn_reflns_limit_k_min        -7
_diffrn_reflns_limit_l_max        22
_diffrn_reflns_limit_l_min        -16
_diffrn_reflns_number             9094
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.974
_diffrn_reflns_theta_full         67.684
_diffrn_reflns_theta_max          73.879
_diffrn_reflns_theta_min          2.982
_diffrn_ambient_environment       N~2~
_diffrn_ambient_temperature       100.00(10)
_diffrn_detector                  'CCD plate'
_diffrn_detector_area_resol_mean  5.2684
_diffrn_detector_type             AtlasS2
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.974
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
--------------------------------------------------------------------------
  1  ω    -59.00   1.00   1.00    1.03    --  -40.98  38.00 -90.00   60
  2  ω   -117.00  -7.00   1.00    1.03    --  -40.98 -19.00-120.00  110
  3  ω     24.00  49.00   1.00    1.03    --   40.98-125.00-180.00   25
  4  ω     36.00 103.00   1.00    1.50    --  107.58 -45.00 -90.00   67
  5  ω     79.00 108.00   1.00    1.50    --  107.58-125.00  30.00   29
  6  ω     39.00  65.00   1.00    1.50    --  107.58-125.00  30.00   26
  7  ω     39.00 128.00   1.00    1.50    --  107.58 -45.00  60.00   89
  8  ω    114.00 169.00   1.00    1.50    --  107.58  45.00-150.00   55
  9  ω     26.00 160.00   1.00    1.50    --  107.58 -15.00  30.00  134
 10  ω    111.00 177.00   1.00    1.50    --  107.58 125.00 150.00   66
;
_diffrn_measurement_device        'four-circle diffractometer'
_diffrn_measurement_device_type   'SuperNova, Dual, Cu at zero, AtlasS2'
_diffrn_measurement_method        'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11       -0.0465746000
_diffrn_orient_matrix_UB_12       0.0783271000
_diffrn_orient_matrix_UB_13       -0.0007210000
_diffrn_orient_matrix_UB_21       -0.0114817000
_diffrn_orient_matrix_UB_22       -0.0795615000
_diffrn_orient_matrix_UB_23       0.0729387000
_diffrn_orient_matrix_UB_31       0.0200116000
_diffrn_orient_matrix_UB_32       0.1367308000
_diffrn_orient_matrix_UB_33       0.0428316000
_diffrn_radiation_monochromator   mirror
_diffrn_radiation_probe           x-ray
_diffrn_radiation_type            CuK\a
_diffrn_radiation_wavelength      1.54184
_diffrn_source                    'micro-focus sealed X-ray tube'
_diffrn_source_type               'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage          0.000
_reflns_Friedel_fraction_full     .
_reflns_Friedel_fraction_max      .
_reflns_number_gt                 4153
_reflns_number_total              4651
_reflns_odcompleteness_completeness 99.96
_reflns_odcompleteness_iscentric  1
_reflns_odcompleteness_theta      66.97
_reflns_special_details
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression      'I > 2σ(I)'
_computing_cell_refinement        'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_data_collection        'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_data_reduction         'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_molecular_graphics     'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material   'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement   'ShelXL (Sheldrick, 2015)'
_computing_structure_solution     'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max          0.327
_refine_diff_density_min          -0.361
_refine_diff_density_rms          0.066
_refine_ls_extinction_coef        .
_refine_ls_extinction_method      none
_refine_ls_goodness_of_fit_ref    1.034
_refine_ls_hydrogen_treatment     constr
_refine_ls_matrix_type            full
_refine_ls_number_parameters      318
_refine_ls_number_reflns          4651
_refine_ls_number_restraints      0
_refine_ls_R_factor_all           0.0579
_refine_ls_R_factor_gt            0.0536
_refine_ls_restrained_S_all       1.034
_refine_ls_shift/su_max           0.001
_refine_ls_shift/su_mean          0.000
_refine_ls_structure_factor_coef  Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0994P)²+2.5459P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme       calc
_refine_ls_wR_factor_gt           0.1470
_refine_ls_wR_factor_ref          0.1540
_refine_special_details           ?
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C17(H17)
2.b Secondary CH2 refined with riding coordinates:
 C18(H18A,H18B)
2.c Aromatic/amide H refined with riding coordinates:
 N1(H1), C16(H16), C6(H6), C25(H25), C3(H3), C5(H5), C21(H21), C12(H12),
 C4(H4), C22(H22), C13(H13), C24(H24), C15(H15), C14(H14)
2.d Idealised Me refined as rotating group:
 C26(H26A,H26B,H26C), C27(H27A,H27B,H27C)
;
_atom_sites_solution_hydrogens    geom
_atom_sites_solution_primary      ?
_atom_sites_solution_secondary    ?
loop_
  _atom_site_label
  _atom_site_type_symbol
  _atom_site_fract_x
  _atom_site_fract_y
  _atom_site_fract_z
  _atom_site_U_iso_or_equiv
  _atom_site_adp_type
  _atom_site_occupancy
  _atom_site_site_symmetry_order
  _atom_site_calc_flag
  _atom_site_refinement_flags_posn
  _atom_site_refinement_flags_adp
  _atom_site_refinement_flags_occupancy
  _atom_site_disorder_assembly
  _atom_site_disorder_group
 F2 F 0.72336(3) 0.13763(12) 0.31379(6) 0.0375(3) Uani 1 1 d . . . . .
 F3 F 0.73877(4) 0.33353(14) 0.38015(7) 0.0443(3) Uani 1 1 d . . . . .
 O1 O 0.47365(4) 0.37106(13) 0.46075(6) 0.0259(3) Uani 1 1 d . . . . .
 F1 F 0.69197(4) 0.35358(15) 0.29036(7) 0.0477(3) Uani 1 1 d . . . . .
 O2 O 0.63373(4) 0.14504(13) 0.53838(7) 0.0286(3) Uani 1 1 d . . . . .
 N1 N 0.53865(4) 0.42949(15) 0.37132(7) 0.0227(3) Uani 1 1 d . . . . .
 H1 H 0.515594 0.487481 0.377927 0.027 Uiso 1 1 calc R . . . .
 C7 C 0.55528(5) 0.13055(16) 0.55222(8) 0.0194(3) Uani 1 1 d . . . . .
 C10 C 0.55024(5) 0.33931(16) 0.42958(8) 0.0185(3) Uani 1 1 d . . . . .
 C2 C 0.51313(5) 0.19362(16) 0.53543(8) 0.0193(3) Uani 1 1 d . . . . .
 C1 C 0.50915(5) 0.30618(17) 0.47539(8) 0.0202(3) Uani 1 1 d . . . . .
 C20 C 0.65732(5) 0.47355(17) 0.46618(8) 0.0210(3) Uani 1 1 d . . . . .
 C9 C 0.59251(5) 0.29060(16) 0.45172(8) 0.0186(3) Uani 1 1 d . . . . .
 C11 C 0.55883(5) 0.44219(17) 0.30150(8) 0.0202(3) Uani 1 1 d . . . . .
 C8 C 0.59656(5) 0.18664(16) 0.51441(8) 0.0205(3) Uani 1 1 d . . . . .
 C17 C 0.63594(5) 0.34960(17) 0.41767(8) 0.0204(3) Uani 1 1 d . . . . .
 H17 H 0.626921 0.400686 0.371885 0.024 Uiso 1 1 calc R . . . .
 C16 C 0.55554(5) 0.58165(18) 0.26497(8) 0.0257(3) Uani 1 1 d . . . . .
 H16 H 0.541731 0.664817 0.287380 0.031 Uiso 1 1 calc R . . . .
 C6 C 0.55913(6) 0.02040(17) 0.60720(8) 0.0238(3) Uani 1 1 d . . . . .
 H6 H 0.587004 -0.023471 0.618114 0.029 Uiso 1 1 calc R . . . .
 C25 C 0.68849(5) 0.44444(19) 0.52246(9) 0.0259(3) Uani 1 1 d . . . . .
 H25 H 0.697701 0.344460 0.531967 0.031 Uiso 1 1 calc R . . . .
 C3 C 0.47517(5) 0.15008(18) 0.57462(8) 0.0241(3) Uani 1 1 d . . . . .
 H3 H 0.447200 0.193217 0.563663 0.029 Uiso 1 1 calc R . . . .
 C18 C 0.66723(5) 0.21686(18) 0.39537(9) 0.0241(3) Uani 1 1 d . . . . .
 H18A H 0.680255 0.172040 0.439503 0.029 Uiso 1 1 calc R . . . .
 H18B H 0.649202 0.138452 0.371270 0.029 Uiso 1 1 calc R . . . .
 C19 C 0.70475(5) 0.2622(2) 0.34529(9) 0.0282(4) Uani 1 1 d . . . . .
 C5 C 0.52098(6) -0.02369(18) 0.64574(8) 0.0274(3) Uani 1 1 d . . . . .
 H5 H 0.523427 -0.097784 0.682269 0.033 Uiso 1 1 calc R . . . .
 C21 C 0.64436(5) 0.62480(18) 0.45426(9) 0.0260(3) Uani 1 1 d . . . . .
 H21 H 0.623691 0.646804 0.416915 0.031 Uiso 1 1 calc R . . . .
 C12 C 0.57974(5) 0.31838(18) 0.26801(8) 0.0244(3) Uani 1 1 d . . . . .
 H12 H 0.581543 0.224420 0.291948 0.029 Uiso 1 1 calc R . . . .
 C4 C 0.47933(6) 0.04202(19) 0.63009(9) 0.0276(3) Uani 1 1 d . . . . .
 H4 H 0.454161 0.013506 0.656859 0.033 Uiso 1 1 calc R . . . .
 N2 N 0.87999(6) 0.4477(2) 0.22324(12) 0.0489(5) Uani 1 1 d . . . . .
 C23 C 0.69272(5) 0.71505(19) 0.55262(9) 0.0279(4) Uani 1 1 d . . . . .
 C22 C 0.66152(6) 0.74345(19) 0.49676(10) 0.0297(4) Uani 1 1 d . . . . .
 H22 H 0.652021 0.843333 0.487767 0.036 Uiso 1 1 calc R . . . .
 C13 C 0.59793(6) 0.3360(2) 0.19847(9) 0.0292(4) Uani 1 1 d . . . . .
 H13 H 0.612749 0.254149 0.176654 0.035 Uiso 1 1 calc R . . . .
 C24 C 0.70578(6) 0.5641(2) 0.56430(9) 0.0292(4) Uani 1 1 d . . . . .
 H24 H 0.726750 0.542608 0.601268 0.035 Uiso 1 1 calc R . . . .
 C15 C 0.57298(6) 0.5963(2) 0.19477(9) 0.0324(4) Uani 1 1 d . . . . .
 H15 H 0.570343 0.689118 0.170047 0.039 Uiso 1 1 calc R . . . .
 C14 C 0.59423(6) 0.4740(2) 0.16134(9) 0.0319(4) Uani 1 1 d . . . . .
 H14 H 0.605896 0.484460 0.114425 0.038 Uiso 1 1 calc R . . . .
 C28 C 0.85382(6) 0.3593(2) 0.23844(11) 0.0362(4) Uani 1 1 d . . . . .
 C26 C 0.71229(7) 0.8440(2) 0.59823(11) 0.0382(4) Uani 1 1 d . . . . .
 H26A H 0.742872 0.862518 0.583907 0.057 Uiso 1 1 calc GR . . . .
 H26B H 0.711694 0.816396 0.649229 0.057 Uiso 1 1 calc GR . . . .
 H26C H 0.694726 0.935188 0.590542 0.057 Uiso 1 1 calc GR . . . .
 C27 C 0.82039(8) 0.2473(4) 0.2594(2) 0.0753(9) Uani 1 1 d . . . . .
 H27A H 0.791554 0.275752 0.239071 0.113 Uiso 1 1 calc GR . . . .
 H27B H 0.818565 0.243570 0.311973 0.113 Uiso 1 1 calc GR . . . .
 H27C H 0.828843 0.148398 0.241114 0.113 Uiso 1 1 calc GR . . . .


_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
  _geom_bond_atom_site_label_1
  _geom_bond_atom_site_label_2
  _geom_bond_distance
  _geom_bond_site_symmetry_2
  _geom_bond_publ_flag
 F2 C19 1.3503(19) . ?
 F3 C19 1.3387(19) . ?
 O1 C1 1.2216(19) . ?
 F1 C19 1.331(2) . ?
 O2 C8 1.2349(19) . ?
 N1 H1 0.8600 . ?
 N1 C10 1.3619(19) . ?
 N1 C11 1.4160(19) . ?
 C7 C2 1.396(2) . ?
 C7 C8 1.494(2) . ?
 C7 C6 1.392(2) . ?
 C10 C1 1.512(2) . ?
 C10 C9 1.379(2) . ?
 C2 C1 1.474(2) . ?
 C2 C3 1.392(2) . ?
 C20 C17 1.529(2) . ?
 C20 C25 1.395(2) . ?
 C20 C21 1.391(2) . ?
 C9 C8 1.462(2) . ?
 C9 C17 1.525(2) . ?
 C11 C16 1.390(2) . ?
 C11 C12 1.390(2) . ?
 C17 H17 0.9800 . ?
 C17 C18 1.541(2) . ?
 C16 H16 0.9300 . ?
 C16 C15 1.391(2) . ?
 C6 H6 0.9300 . ?
 C6 C5 1.392(2) . ?
 C25 H25 0.9300 . ?
 C25 C24 1.388(2) . ?
 C3 H3 0.9300 . ?
 C3 C4 1.386(2) . ?
 C18 H18A 0.9700 . ?
 C18 H18B 0.9700 . ?
 C18 C19 1.500(2) . ?
 C5 H5 0.9300 . ?
 C5 C4 1.388(2) . ?
 C21 H21 0.9300 . ?
 C21 C22 1.386(2) . ?
 C12 H12 0.9300 . ?
 C12 C13 1.391(2) . ?
 C4 H4 0.9300 . ?
 N2 C28 1.131(3) . ?
 C23 C22 1.389(2) . ?
 C23 C24 1.389(2) . ?
 C23 C26 1.511(2) . ?
 C22 H22 0.9300 . ?
 C13 H13 0.9300 . ?
 C13 C14 1.386(3) . ?
 C24 H24 0.9300 . ?
 C15 H15 0.9300 . ?
 C15 C14 1.383(3) . ?
 C14 H14 0.9300 . ?
 C28 C27 1.446(3) . ?
 C26 H26A 0.9600 . ?
 C26 H26B 0.9600 . ?
 C26 H26C 0.9600 . ?
 C27 H27A 0.9600 . ?
 C27 H27B 0.9600 . ?
 C27 H27C 0.9600 . ?

loop_
  _geom_angle_atom_site_label_1
  _geom_angle_atom_site_label_2
  _geom_angle_atom_site_label_3
  _geom_angle
  _geom_angle_site_symmetry_1
  _geom_angle_site_symmetry_3
  _geom_angle_publ_flag
 C10 N1 H1 115.1 . . ?
 C10 N1 C11 129.76(13) . . ?
 C11 N1 H1 115.1 . . ?
 C2 C7 C8 120.39(13) . . ?
 C6 C7 C2 119.70(14) . . ?
 C6 C7 C8 119.83(14) . . ?
 N1 C10 C1 110.06(12) . . ?
 N1 C10 C9 128.75(14) . . ?
 C9 C10 C1 120.97(13) . . ?
 C7 C2 C1 119.26(13) . . ?
 C3 C2 C7 120.45(14) . . ?
 C3 C2 C1 120.29(14) . . ?
 O1 C1 C10 119.22(13) . . ?
 O1 C1 C2 122.14(14) . . ?
 C2 C1 C10 118.62(13) . . ?
 C25 C20 C17 124.18(14) . . ?
 C21 C20 C17 117.99(13) . . ?
 C21 C20 C25 117.82(14) . . ?
 C10 C9 C8 119.05(13) . . ?
 C10 C9 C17 123.05(13) . . ?
 C8 C9 C17 117.72(12) . . ?
 C16 C11 N1 118.06(14) . . ?
 C16 C11 C12 119.99(14) . . ?
 C12 C11 N1 121.89(14) . . ?
 O2 C8 C7 118.23(13) . . ?
 O2 C8 C9 121.54(14) . . ?
 C9 C8 C7 120.22(13) . . ?
 C20 C17 H17 106.1 . . ?
 C20 C17 C18 115.93(12) . . ?
 C9 C17 C20 110.49(12) . . ?
 C9 C17 H17 106.1 . . ?
 C9 C17 C18 111.52(12) . . ?
 C18 C17 H17 106.1 . . ?
 C11 C16 H16 120.1 . . ?
 C11 C16 C15 119.70(16) . . ?
 C15 C16 H16 120.1 . . ?
 C7 C6 H6 120.2 . . ?
 C7 C6 C5 119.57(15) . . ?
 C5 C6 H6 120.2 . . ?
 C20 C25 H25 119.9 . . ?
 C24 C25 C20 120.24(15) . . ?
 C24 C25 H25 119.9 . . ?
 C2 C3 H3 120.2 . . ?
 C4 C3 C2 119.58(15) . . ?
 C4 C3 H3 120.2 . . ?
 C17 C18 H18A 108.6 . . ?
 C17 C18 H18B 108.6 . . ?
 H18A C18 H18B 107.6 . . ?
 C19 C18 C17 114.50(13) . . ?
 C19 C18 H18A 108.6 . . ?
 C19 C18 H18B 108.6 . . ?
 F2 C19 C18 110.82(14) . . ?
 F3 C19 F2 105.46(13) . . ?
 F3 C19 C18 113.22(13) . . ?
 F1 C19 F2 106.09(13) . . ?
 F1 C19 F3 106.50(15) . . ?
 F1 C19 C18 114.13(13) . . ?
 C6 C5 H5 119.7 . . ?
 C4 C5 C6 120.54(14) . . ?
 C4 C5 H5 119.7 . . ?
 C20 C21 H21 119.2 . . ?
 C22 C21 C20 121.53(14) . . ?
 C22 C21 H21 119.2 . . ?
 C11 C12 H12 120.2 . . ?
 C11 C12 C13 119.56(15) . . ?
 C13 C12 H12 120.2 . . ?
 C3 C4 C5 120.14(15) . . ?
 C3 C4 H4 119.9 . . ?
 C5 C4 H4 119.9 . . ?
 C22 C23 C24 117.61(15) . . ?
 C22 C23 C26 121.17(16) . . ?
 C24 C23 C26 121.21(16) . . ?
 C21 C22 C23 120.83(15) . . ?
 C21 C22 H22 119.6 . . ?
 C23 C22 H22 119.6 . . ?
 C12 C13 H13 119.6 . . ?
 C14 C13 C12 120.73(16) . . ?
 C14 C13 H13 119.6 . . ?
 C25 C24 C23 121.97(15) . . ?
 C25 C24 H24 119.0 . . ?
 C23 C24 H24 119.0 . . ?
 C16 C15 H15 119.7 . . ?
 C14 C15 C16 120.67(15) . . ?
 C14 C15 H15 119.7 . . ?
 C13 C14 H14 120.3 . . ?
 C15 C14 C13 119.31(15) . . ?
 C15 C14 H14 120.3 . . ?
 N2 C28 C27 178.8(3) . . ?
 C23 C26 H26A 109.5 . . ?
 C23 C26 H26B 109.5 . . ?
 C23 C26 H26C 109.5 . . ?
 H26A C26 H26B 109.5 . . ?
 H26A C26 H26C 109.5 . . ?
 H26B C26 H26C 109.5 . . ?
 C28 C27 H27A 109.5 . . ?
 C28 C27 H27B 109.5 . . ?
 C28 C27 H27C 109.5 . . ?
 H27A C27 H27B 109.5 . . ?
 H27A C27 H27C 109.5 . . ?
 H27B C27 H27C 109.5 . . ?

loop_
  _geom_torsion_atom_site_label_1
  _geom_torsion_atom_site_label_2
  _geom_torsion_atom_site_label_3
  _geom_torsion_atom_site_label_4
  _geom_torsion
  _geom_torsion_site_symmetry_1
  _geom_torsion_site_symmetry_2
  _geom_torsion_site_symmetry_3
  _geom_torsion_site_symmetry_4
  _geom_torsion_publ_flag
 N1 C10 C1 O1 -6.79(18) . . . . ?
 N1 C10 C1 C2 171.89(12) . . . . ?
 N1 C10 C9 C8 -176.77(14) . . . . ?
 N1 C10 C9 C17 8.1(2) . . . . ?
 N1 C11 C16 C15 -176.83(13) . . . . ?
 N1 C11 C12 C13 178.21(14) . . . . ?
 C7 C2 C1 O1 -176.10(13) . . . . ?
 C7 C2 C1 C10 5.25(19) . . . . ?
 C7 C2 C3 C4 -0.7(2) . . . . ?
 C7 C6 C5 C4 -0.4(2) . . . . ?
 C10 N1 C11 C16 -151.08(15) . . . . ?
 C10 N1 C11 C12 31.8(2) . . . . ?
 C10 C9 C8 O2 -176.79(14) . . . . ?
 C10 C9 C8 C7 1.9(2) . . . . ?
 C10 C9 C17 C20 99.45(16) . . . . ?
 C10 C9 C17 C18 -130.08(14) . . . . ?
 C2 C7 C8 O2 169.23(13) . . . . ?
 C2 C7 C8 C9 -9.5(2) . . . . ?
 C2 C7 C6 C5 -1.1(2) . . . . ?
 C2 C3 C4 C5 -0.8(2) . . . . ?
 C1 C10 C9 C8 9.1(2) . . . . ?
 C1 C10 C9 C17 -166.03(13) . . . . ?
 C1 C2 C3 C4 178.85(13) . . . . ?
 C20 C17 C18 C19 -66.82(17) . . . . ?
 C20 C25 C24 C23 0.6(3) . . . . ?
 C20 C21 C22 C23 0.5(3) . . . . ?
 C9 C10 C1 O1 168.35(13) . . . . ?
 C9 C10 C1 C2 -13.0(2) . . . . ?
 C9 C17 C18 C19 165.58(12) . . . . ?
 C11 N1 C10 C1 -152.85(14) . . . . ?
 C11 N1 C10 C9 32.5(2) . . . . ?
 C11 C16 C15 C14 -1.0(2) . . . . ?
 C11 C12 C13 C14 -2.0(2) . . . . ?
 C8 C7 C2 C1 5.5(2) . . . . ?
 C8 C7 C2 C3 -174.95(13) . . . . ?
 C8 C7 C6 C5 175.57(13) . . . . ?
 C8 C9 C17 C20 -75.72(16) . . . . ?
 C8 C9 C17 C18 54.75(17) . . . . ?
 C17 C20 C25 C24 -179.27(15) . . . . ?
 C17 C20 C21 C22 178.77(15) . . . . ?
 C17 C9 C8 O2 -1.4(2) . . . . ?
 C17 C9 C8 C7 177.26(12) . . . . ?
 C17 C18 C19 F2 -164.56(13) . . . . ?
 C17 C18 C19 F3 77.18(17) . . . . ?
 C17 C18 C19 F1 -44.88(19) . . . . ?
 C16 C11 C12 C13 1.1(2) . . . . ?
 C16 C15 C14 C13 0.1(2) . . . . ?
 C6 C7 C2 C1 -177.87(12) . . . . ?
 C6 C7 C2 C3 1.7(2) . . . . ?
 C6 C7 C8 O2 -7.4(2) . . . . ?
 C6 C7 C8 C9 173.84(13) . . . . ?
 C6 C5 C4 C3 1.4(2) . . . . ?
 C25 C20 C17 C9 89.84(17) . . . . ?
 C25 C20 C17 C18 -38.3(2) . . . . ?
 C25 C20 C21 C22 -0.2(2) . . . . ?
 C3 C2 C1 O1 4.3(2) . . . . ?
 C3 C2 C1 C10 -174.35(13) . . . . ?
 C21 C20 C17 C9 -89.07(16) . . . . ?
 C21 C20 C17 C18 142.83(14) . . . . ?
 C21 C20 C25 C24 -0.4(2) . . . . ?
 C12 C11 C16 C15 0.4(2) . . . . ?
 C12 C13 C14 C15 1.4(2) . . . . ?
 C22 C23 C24 C25 -0.3(3) . . . . ?
 C24 C23 C22 C21 -0.3(3) . . . . ?
 C26 C23 C22 C21 178.79(16) . . . . ?
 C26 C23 C24 C25 -179.36(17) . . . . ?


_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- Detector area scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.958
_oxdiff_exptl_absorpt_empirical_full_min 0.523
