data_exp_10349
_audit_creation_date               2019-05-24
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number       '2018/3'
_audit_contact_author_address      ?
_audit_contact_author_email        ?
_audit_contact_author_name         ''
_audit_contact_author_phone        ?
_publ_contact_author_id_orcid      ?
_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           'C18 H17 F3 N2 O5'
_chemical_formula_sum              'C18 H17 F3 N2 O5'
_chemical_formula_weight           398.33
_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             14
_space_group_name_H-M_alt          'P 1 21/c 1'
_space_group_name_Hall             '-P 2ybc'
loop_
  _space_group_symop_operation_xyz
 'x, y, z'
 '-x, y+1/2, -z+1/2'
 '-x, -y, -z'
 'x, -y-1/2, z-1/2'

_cell_length_a                     8.6117(6)
_cell_length_b                     13.1472(7)
_cell_length_c                     16.2550(13)
_cell_angle_alpha                  90
_cell_angle_beta                   95.684(7)
_cell_angle_gamma                  90
_cell_volume                       1831.3(2)
_cell_formula_units_Z              4
_cell_measurement_reflns_used      1880
_cell_measurement_temperature      293.15
_cell_measurement_theta_max        71.5350
_cell_measurement_theta_min        4.3230
_shelx_estimated_absorpt_T_max     ?
_shelx_estimated_absorpt_T_min     ?
_exptl_absorpt_coefficient_mu      1.090
_exptl_absorpt_correction_T_max    1.00000
_exptl_absorpt_correction_T_min    0.88094
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.35c (Rigaku Oxford Diffraction, 2017)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details     ?
_exptl_crystal_colour              colourless
_exptl_crystal_colour_primary      colourless
_exptl_crystal_density_diffrn      1.445
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      ?
_exptl_crystal_description         block
_exptl_crystal_F_000               824
_exptl_crystal_size_max            ?
_exptl_crystal_size_mid            ?
_exptl_crystal_size_min            ?
_exptl_transmission_factor_max     ?
_exptl_transmission_factor_min     ?
_diffrn_reflns_av_R_equivalents    0.0303
_diffrn_reflns_av_unetI/netI       0.0417
_diffrn_reflns_Laue_measured_fraction_full  0.997
_diffrn_reflns_Laue_measured_fraction_max  0.971
_diffrn_reflns_limit_h_max         10
_diffrn_reflns_limit_h_min         -10
_diffrn_reflns_limit_k_max         10
_diffrn_reflns_limit_k_min         -16
_diffrn_reflns_limit_l_max         19
_diffrn_reflns_limit_l_min         -20
_diffrn_reflns_number              6675
_diffrn_reflns_point_group_measured_fraction_full  0.997
_diffrn_reflns_point_group_measured_fraction_max  0.971
_diffrn_reflns_theta_full          67.684
_diffrn_reflns_theta_max           71.870
_diffrn_reflns_theta_min           4.334
_diffrn_ambient_temperature        293.15
_diffrn_detector                   'CCD plate'
_diffrn_detector_area_resol_mean   8.1281
_diffrn_detector_type              Eos
_diffrn_measured_fraction_theta_full  0.997
_diffrn_measured_fraction_theta_max  0.971
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
--------------------------------------------------------------------------
  1  ω    -35.00 -10.00   1.00   10.00    --  -33.50  57.00  90.00   25
  2  ω    -62.00  29.00   1.00   10.00    --  -33.50  19.00-150.00   91
  3  ω     15.00  49.00   1.00   10.00    --   36.37  77.00-150.00   34
  4  ω     54.00 104.00   1.00   10.00    --   36.37  77.00-150.00   50
  5  ω     10.00  73.00   1.00   10.00    --   36.37 -99.00 -90.00   63
  6  ω     -4.00  45.00   1.00   10.00    --   36.37 -99.00  30.00   49
  7  ω     91.00 175.00   1.00   30.00    --  108.00  45.00  60.00   84
  8  ω     94.00 120.00   1.00   30.00    --  108.00  61.00 -90.00   26
  9  ω    104.00 165.00   1.00   30.00    --  108.00  77.00   0.00   61
 10  ω     41.00 120.00   1.00   30.00    --  108.00 -61.00  90.00   79
 11  ω     78.00 121.00   1.00   30.00    --  108.00 -45.00 -90.00   43
 12  ω    129.00 173.00   1.00   30.00    --  108.00  61.00 -90.00   44
 13  ω     40.00 103.00   1.00   30.00    --  108.00 -94.00 -60.00   63
 14  ω     88.00 178.00   1.00   30.00    --  108.00  30.00 -30.00   90
;
_diffrn_measurement_device         'four-circle diffractometer'
_diffrn_measurement_device_type    'Xcalibur, Eos, Gemini'
_diffrn_measurement_method         'ω scans'
_diffrn_orient_matrix_type        
 'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11        -0.1245735000
_diffrn_orient_matrix_UB_12        0.0836384000
_diffrn_orient_matrix_UB_13        -0.0153387000
_diffrn_orient_matrix_UB_21        -0.0406983000
_diffrn_orient_matrix_UB_22        -0.0396017000
_diffrn_orient_matrix_UB_23        -0.0887555000
_diffrn_orient_matrix_UB_31        -0.1230317000
_diffrn_orient_matrix_UB_32        -0.0718301000
_diffrn_orient_matrix_UB_33        0.0310760000
_diffrn_radiation_monochromator    graphite
_diffrn_radiation_probe            x-ray
_diffrn_radiation_type             CuK\a
_diffrn_radiation_wavelength       1.54184
_diffrn_source                     'fine-focus sealed X-ray tube'
_diffrn_source_type                'Enhance (Cu) X-ray Source'
_diffrn_special_details            ?
_reflns_Friedel_coverage           0.000
_reflns_Friedel_fraction_full      .
_reflns_Friedel_fraction_max       .
_reflns_number_gt                  2385
_reflns_number_total               3497
_reflns_odcompleteness_completeness  99.77
_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 1.171.39.35c (Rigaku OD, 2017)'
_computing_data_collection         'CrysAlisPro 1.171.39.35c (Rigaku OD, 2017)'
_computing_data_reduction          'CrysAlisPro 1.171.39.35c (Rigaku OD, 2017)'
_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 (Sheldrick, 2015)'
_refine_diff_density_max           0.176
_refine_diff_density_min           -0.166
_refine_diff_density_rms           0.037
_refine_ls_extinction_coef         0.0016(2)
_refine_ls_extinction_expression  
 'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^'
_refine_ls_extinction_method       'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref     1.078
_refine_ls_hydrogen_treatment      constr
_refine_ls_matrix_type             full
_refine_ls_number_parameters       285
_refine_ls_number_reflns           3497
_refine_ls_number_restraints       78
_refine_ls_R_factor_all            0.0761
_refine_ls_R_factor_gt             0.0509
_refine_ls_restrained_S_all        1.096
_refine_ls_shift/su_max            0.000
_refine_ls_shift/su_mean           0.000
_refine_ls_structure_factor_coef   Fsqd
_refine_ls_weighting_details      
 'w=1/[σ²(Fo²)+(0.0543P)²+0.2409P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.1277
_refine_ls_wR_factor_ref           0.1461
_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. Uiso/Uaniso restraints and constraints
Uanis(F2) \\sim Ueq, Uanis(F3) \\sim Ueq, Uanis(C1) \\sim Ueq, Uanis(F3A) \\sim
Ueq, Uanis(F2A) \\sim Ueq, Uanis(F1) \\sim Ueq, Uanis(F1A) \\sim Ueq: with
sigma of 0.01 and sigma for terminal atoms of 0.02
3. Rigid body (RIGU) restrains
 F1, F2, F3, C1, F3A, F2A, F1A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
4. Others
 Sof(F3A)=Sof(F2A)=Sof(F1A)=1-FVAR(1)
 Sof(F1)=Sof(F2)=Sof(F3)=FVAR(1)
5.a Secondary CH2 refined with riding coordinates:
 C17(H17A,H17B)
5.b Aromatic/amide H refined with riding coordinates:
 N1(H1), C7(H7), C9(H9), C6(H6), C15(H15), C14(H14)
5.c Idealised Me refined as rotating group:
 C11(H11A,H11B,H11C), C13(H13A,H13B,H13C), C18(H18A,H18B,H18C)
;
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary       dual
_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
 F1 F 0.6919(8) 0.5648(5) 0.2363(5) 0.091(2) Uani 0.730(16) 1 d . U P A 1
 F2 F 0.8902(4) 0.4964(3) 0.1997(4) 0.0717(13) Uani 0.730(16) 1 d . U P A 1
 F3 F 0.6968(10) 0.5247(5) 0.1138(3) 0.108(2) Uani 0.730(16) 1 d . U P A 1
 O4 O 0.9596(2) 0.32932(14) 0.12179(13) 0.0646(5) Uani 1 1 d . . . . .
 O1 O 0.4024(2) 0.51915(13) 0.25689(16) 0.0786(7) Uani 1 1 d . . . . .
 O5 O 0.9172(3) 0.17126(14) 0.16139(16) 0.0827(7) Uani 1 1 d . . . . .
 O2 O -0.3251(3) 0.45579(17) 0.46272(16) 0.0858(7) Uani 1 1 d . . . . .
 O3 O -0.3616(3) 0.26315(18) 0.46751(16) 0.0915(8) Uani 1 1 d . . . . .
 N1 N 0.6395(2) 0.22567(14) 0.21289(14) 0.0566(6) Uani 1 1 d . . . . .
 H1 H 0.656420 0.161476 0.208942 0.068 Uiso 1 1 calc R . . . .
 N2 N 0.5147(2) 0.26362(14) 0.24317(15) 0.0555(5) Uani 1 1 d . . . . .
 C2 C 0.6704(3) 0.38971(15) 0.20495(14) 0.0425(5) Uani 1 1 d . . . . .
 C4 C 0.5311(3) 0.36452(16) 0.23913(15) 0.0453(5) Uani 1 1 d . . . . .
 C3 C 0.7366(3) 0.29657(16) 0.18904(15) 0.0458(5) Uani 1 1 d . . . . .
 C8 C 0.0266(3) 0.37550(19) 0.36637(15) 0.0495(6) Uani 1 1 d . . . . .
 C7 C 0.1590(3) 0.42134(18) 0.33087(16) 0.0511(6) Uani 1 1 d . . . . .
 H7 H 0.156965 0.491675 0.324727 0.061 Uiso 1 1 calc R . . . .
 C1 C 0.7328(3) 0.49319(18) 0.18859(17) 0.0537(6) Uani 1 1 d . U . . .
 C9 C -0.0825(3) 0.4394(2) 0.39862(16) 0.0545(6) Uani 1 1 d . . . . .
 H9 H -0.067728 0.509480 0.397849 0.065 Uiso 1 1 calc R . . . .
 C5 C 0.4045(3) 0.42772(17) 0.26817(17) 0.0510(6) Uani 1 1 d . . . . .
 C6 C 0.2816(3) 0.37355(18) 0.30645(16) 0.0532(6) Uani 1 1 d . . . . .
 H6 H 0.290027 0.303546 0.313807 0.064 Uiso 1 1 calc R . . . .
 C16 C 0.8808(3) 0.25860(18) 0.15602(16) 0.0526(6) Uani 1 1 d . . . . .
 C15 C 0.0024(3) 0.2714(2) 0.36739(17) 0.0567(6) Uani 1 1 d . . . . .
 H15 H 0.073149 0.227840 0.345763 0.068 Uiso 1 1 calc R . . . .
 C10 C -0.2116(3) 0.4003(2) 0.43154(17) 0.0590(7) Uani 1 1 d . . . . .
 C12 C -0.2329(3) 0.2948(2) 0.43323(18) 0.0635(7) Uani 1 1 d . . . . .
 C14 C -0.1270(3) 0.2320(2) 0.40058(19) 0.0647(7) Uani 1 1 d . . . . .
 H14 H -0.142409 0.162007 0.400776 0.078 Uiso 1 1 calc R . . . .
 C11 C -0.3229(4) 0.5624(2) 0.4544(2) 0.0730(8) Uani 1 1 d . . . . .
 H11A H -0.323996 0.579948 0.397004 0.110 Uiso 1 1 calc GR . . . .
 H11B H -0.230194 0.589129 0.484392 0.110 Uiso 1 1 calc GR . . . .
 H11C H -0.413097 0.590857 0.476095 0.110 Uiso 1 1 calc GR . . . .
 C17 C 1.1085(3) 0.2998(3) 0.0945(2) 0.0743(9) Uani 1 1 d . . . . .
 H17A H 1.093492 0.250377 0.050190 0.089 Uiso 1 1 calc R . . . .
 H17B H 1.175061 0.270119 0.139881 0.089 Uiso 1 1 calc R . . . .
 C13 C -0.3992(5) 0.1593(3) 0.4606(3) 0.1104(15) Uani 1 1 d . . . . .
 H13A H -0.407229 0.139639 0.403461 0.166 Uiso 1 1 calc GR . . . .
 H13B H -0.497016 0.147353 0.482545 0.166 Uiso 1 1 calc GR . . . .
 H13C H -0.318955 0.120020 0.491061 0.166 Uiso 1 1 calc GR . . . .
 C18 C 1.1798(4) 0.3942(3) 0.0651(3) 0.1083(14) Uani 1 1 d . . . . .
 H18A H 1.119496 0.417998 0.016033 0.162 Uiso 1 1 calc GR . . . .
 H18B H 1.284523 0.380176 0.052914 0.162 Uiso 1 1 calc GR . . . .
 H18C H 1.181536 0.445393 0.107269 0.162 Uiso 1 1 calc GR . . . .
 F3A F 0.617(2) 0.5294(11) 0.1261(10) 0.099(4) Uani 0.270(16) 1 d . U P A 2
 F2A F 0.851(3) 0.4967(9) 0.1508(19) 0.116(6) Uani 0.270(16) 1 d . U P A 2
 F1A F 0.723(2) 0.5518(13) 0.2518(9) 0.078(4) Uani 0.270(16) 1 d . U P A 2


_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
 F1 C1 1.290(6) . ?
 F2 C1 1.351(4) . ?
 F3 C1 1.292(5) . ?
 O4 C16 1.308(3) . ?
 O4 C17 1.450(3) . ?
 O1 C5 1.216(3) . ?
 O5 C16 1.191(3) . ?
 O2 C10 1.357(3) . ?
 O2 C11 1.409(4) . ?
 O3 C12 1.354(3) . ?
 O3 C13 1.405(4) . ?
 N1 N2 1.323(3) . ?
 N1 C3 1.335(3) . ?
 N2 C4 1.336(3) . ?
 C2 C4 1.411(3) . ?
 C2 C3 1.386(3) . ?
 C2 C1 1.496(3) . ?
 C4 C5 1.485(3) . ?
 C3 C16 1.487(3) . ?
 C8 C7 1.458(3) . ?
 C8 C9 1.401(3) . ?
 C8 C15 1.385(4) . ?
 C7 C6 1.323(3) . ?
 C1 F3A 1.430(14) . ?
 C1 F2A 1.238(9) . ?
 C1 F1A 1.294(15) . ?
 C9 C10 1.380(3) . ?
 C5 C6 1.464(3) . ?
 C15 C14 1.385(3) . ?
 C10 C12 1.400(4) . ?
 C12 C14 1.375(4) . ?
 C17 C18 1.484(5) . ?

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
 C16 O4 C17 116.9(2) . . ?
 C10 O2 C11 118.8(2) . . ?
 C12 O3 C13 117.2(3) . . ?
 N2 N1 C3 113.57(18) . . ?
 N1 N2 C4 105.22(18) . . ?
 C4 C2 C1 128.1(2) . . ?
 C3 C2 C4 104.33(18) . . ?
 C3 C2 C1 127.5(2) . . ?
 N2 C4 C2 110.52(19) . . ?
 N2 C4 C5 117.1(2) . . ?
 C2 C4 C5 132.4(2) . . ?
 N1 C3 C2 106.37(19) . . ?
 N1 C3 C16 116.10(19) . . ?
 C2 C3 C16 137.5(2) . . ?
 C9 C8 C7 118.7(2) . . ?
 C15 C8 C7 122.5(2) . . ?
 C15 C8 C9 118.8(2) . . ?
 C6 C7 C8 126.9(2) . . ?
 F1 C1 F2 103.2(4) . . ?
 F1 C1 F3 106.1(5) . . ?
 F1 C1 C2 115.6(3) . . ?
 F2 C1 C2 112.2(3) . . ?
 F3 C1 F2 105.0(3) . . ?
 F3 C1 C2 113.7(3) . . ?
 F3A C1 C2 101.1(8) . . ?
 F2A C1 C2 116.6(6) . . ?
 F2A C1 F3A 100.5(10) . . ?
 F2A C1 F1A 119.3(15) . . ?
 F1A C1 C2 110.4(8) . . ?
 F1A C1 F3A 105.8(10) . . ?
 C10 C9 C8 121.1(2) . . ?
 O1 C5 C4 120.4(2) . . ?
 O1 C5 C6 123.0(2) . . ?
 C6 C5 C4 116.57(19) . . ?
 C7 C6 C5 121.9(2) . . ?
 O4 C16 C3 113.7(2) . . ?
 O5 C16 O4 124.9(2) . . ?
 O5 C16 C3 121.4(2) . . ?
 C8 C15 C14 120.1(2) . . ?
 O2 C10 C9 125.6(3) . . ?
 O2 C10 C12 115.1(2) . . ?
 C9 C10 C12 119.3(2) . . ?
 O3 C12 C10 115.2(3) . . ?
 O3 C12 C14 125.1(3) . . ?
 C14 C12 C10 119.6(2) . . ?
 C12 C14 C15 121.1(3) . . ?
 O4 C17 C18 106.4(3) . . ?

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
 O1 C5 C6 C7 0.4(5) . . . . ?
 O2 C10 C12 O3 -1.5(4) . . . . ?
 O2 C10 C12 C14 177.9(3) . . . . ?
 O3 C12 C14 C15 -179.4(3) . . . . ?
 N1 N2 C4 C2 0.2(3) . . . . ?
 N1 N2 C4 C5 179.0(2) . . . . ?
 N1 C3 C16 O4 169.9(2) . . . . ?
 N1 C3 C16 O5 -10.1(4) . . . . ?
 N2 N1 C3 C2 0.0(3) . . . . ?
 N2 N1 C3 C16 178.8(2) . . . . ?
 N2 C4 C5 O1 -170.9(3) . . . . ?
 N2 C4 C5 C6 6.1(4) . . . . ?
 C2 C4 C5 O1 7.5(5) . . . . ?
 C2 C4 C5 C6 -175.4(3) . . . . ?
 C2 C3 C16 O4 -11.8(4) . . . . ?
 C2 C3 C16 O5 168.2(3) . . . . ?
 C4 C2 C3 N1 0.1(3) . . . . ?
 C4 C2 C3 C16 -178.3(3) . . . . ?
 C4 C2 C1 F1 28.0(6) . . . . ?
 C4 C2 C1 F2 145.9(4) . . . . ?
 C4 C2 C1 F3 -95.1(6) . . . . ?
 C4 C2 C1 F3A -65.6(9) . . . . ?
 C4 C2 C1 F2A -173.4(18) . . . . ?
 C4 C2 C1 F1A 46.1(10) . . . . ?
 C4 C5 C6 C7 -176.6(3) . . . . ?
 C3 N1 N2 C4 -0.2(3) . . . . ?
 C3 C2 C4 N2 -0.2(3) . . . . ?
 C3 C2 C4 C5 -178.7(3) . . . . ?
 C3 C2 C1 F1 -152.6(5) . . . . ?
 C3 C2 C1 F2 -34.7(5) . . . . ?
 C3 C2 C1 F3 84.3(6) . . . . ?
 C3 C2 C1 F3A 113.8(8) . . . . ?
 C3 C2 C1 F2A 6.0(19) . . . . ?
 C3 C2 C1 F1A -134.5(9) . . . . ?
 C8 C7 C6 C5 177.2(3) . . . . ?
 C8 C9 C10 O2 -178.7(3) . . . . ?
 C8 C9 C10 C12 0.5(4) . . . . ?
 C8 C15 C14 C12 -0.3(4) . . . . ?
 C7 C8 C9 C10 178.7(3) . . . . ?
 C7 C8 C15 C14 -178.8(3) . . . . ?
 C1 C2 C4 N2 179.3(3) . . . . ?
 C1 C2 C4 C5 0.8(5) . . . . ?
 C1 C2 C3 N1 -179.4(2) . . . . ?
 C1 C2 C3 C16 2.3(5) . . . . ?
 C9 C8 C7 C6 171.7(3) . . . . ?
 C9 C8 C15 C14 -0.6(4) . . . . ?
 C9 C10 C12 O3 179.2(3) . . . . ?
 C9 C10 C12 C14 -1.4(5) . . . . ?
 C16 O4 C17 C18 -175.2(3) . . . . ?
 C15 C8 C7 C6 -10.1(4) . . . . ?
 C15 C8 C9 C10 0.5(4) . . . . ?
 C10 C12 C14 C15 1.3(5) . . . . ?
 C11 O2 C10 C9 6.8(5) . . . . ?
 C11 O2 C10 C12 -172.4(3) . . . . ?
 C17 O4 C16 O5 -5.2(4) . . . . ?
 C17 O4 C16 C3 174.8(2) . . . . ?
 C13 O3 C12 C10 171.6(3) . . . . ?
 C13 O3 C12 C14 -7.7(5) . . . . ?

_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
;
_oxdiff_exptl_absorpt_empirical_full_max  1.139
_oxdiff_exptl_absorpt_empirical_full_min  0.817
