data_Yu103
_audit_creation_date               2018-05-04
_audit_creation_method
;
Olex2 1.2-beta
(compiled 2018.04.26 svn.r3504 for OlexSys, GUI svn.r5492)
;
_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           'C21 H22 F N O4'
_chemical_formula_sum              'C21 H22 F N O4'
_chemical_formula_weight           371.39
_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                     27.4465(18)
_cell_length_b                     6.4873(4)
_cell_length_c                     22.0138(15)
_cell_angle_alpha                  90
_cell_angle_beta                   112.954(2)
_cell_angle_gamma                  90
_cell_volume                       3609.3(4)
_cell_formula_units_Z              8
_cell_measurement_reflns_used      9110
_cell_measurement_temperature      100.0
_cell_measurement_theta_max        68.343
_cell_measurement_theta_min        3.498
_shelx_estimated_absorpt_T_max     0.902
_shelx_estimated_absorpt_T_min     0.837
_exptl_absorpt_coefficient_mu      0.840
_exptl_absorpt_correction_T_max    0.3129
_exptl_absorpt_correction_T_min    0.2122
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details    
 'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1564 before and 0.0833 after correction. The Ratio of minimum to maximum transmission is 0.6782. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details     ?
_exptl_crystal_colour              Colorless
_exptl_crystal_colour_primary      Colorless
_exptl_crystal_density_diffrn      1.367
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      ?
_exptl_crystal_description         Block
_exptl_crystal_F_000               1568
_exptl_crystal_size_max            0.219
_exptl_crystal_size_mid            0.135
_exptl_crystal_size_min            0.126
_exptl_transmission_factor_max     ?
_exptl_transmission_factor_min     ?
_diffrn_reflns_av_R_equivalents    0.0625
_diffrn_reflns_av_unetI/netI       0.0378
_diffrn_reflns_Laue_measured_fraction_full  1.000
_diffrn_reflns_Laue_measured_fraction_max  0.999
_diffrn_reflns_limit_h_max         32
_diffrn_reflns_limit_h_min         -33
_diffrn_reflns_limit_k_max         7
_diffrn_reflns_limit_k_min         -7
_diffrn_reflns_limit_l_max         26
_diffrn_reflns_limit_l_min         -25
_diffrn_reflns_number              54256
_diffrn_reflns_point_group_measured_fraction_full  1.000
_diffrn_reflns_point_group_measured_fraction_max  0.999
_diffrn_reflns_theta_full          68.000
_diffrn_reflns_theta_max           68.379
_diffrn_reflns_theta_min           1.748
_diffrn_ambient_temperature        100.0
_diffrn_detector                   'Bruker Platinum135 CCD'
_diffrn_detector_area_resol_mean   7.9
_diffrn_detector_type              'CCD Area Detector'
_diffrn_measured_fraction_theta_full  1.000
_diffrn_measured_fraction_theta_max  0.999
_diffrn_measurement_device         'Fixed Chi Three-Circle Diffractometer'
_diffrn_measurement_device_type    'Bruker D8 Platinum135'
_diffrn_measurement_method         'ω and φ scans'
_diffrn_radiation_monochromator    'Double Bounce Multilayer Mirrors'
_diffrn_radiation_probe            X-ray
_diffrn_radiation_type             CuK\a
_diffrn_radiation_wavelength       1.54178
_diffrn_source                     'Micro Focus Rotating Anode'
_diffrn_source_type                'Rigaku MicroMax-007HF'
_diffrn_special_details            ?
_diffrn_standards_number           0
_reflns_Friedel_coverage           0.000
_reflns_Friedel_fraction_full      .
_reflns_Friedel_fraction_max       .
_reflns_number_gt                  5973
_reflns_number_total               6618
_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         'SAINT V8.38A (Bruker, 2017)'
_computing_data_collection         'APEX3 v2017.3-0 (Bruker, 2017)'
_computing_data_reduction          'SAINT V8.38A (Bruker, 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           0.243
_refine_diff_density_min           -0.224
_refine_diff_density_rms           0.044
_refine_ls_extinction_coef         .
_refine_ls_extinction_method       none
_refine_ls_goodness_of_fit_ref     1.032
_refine_ls_hydrogen_treatment      constr
_refine_ls_matrix_type             full
_refine_ls_number_parameters       493
_refine_ls_number_reflns           6618
_refine_ls_number_restraints       0
_refine_ls_R_factor_all            0.0414
_refine_ls_R_factor_gt             0.0378
_refine_ls_restrained_S_all        1.032
_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)+(0.0534P)²+1.0939P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.0987
_refine_ls_wR_factor_ref           0.1021
_refine_special_details            ?
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C4(H4), C4'(H4')
2.b Secondary CH2 refined with riding coordinates:
 C3(H3A,H3B), C12(H12A,H12B), C3'(H3'A,H3'B), C12'(H12C,H12D)
2.c Aromatic/amide H refined with riding coordinates:
 C6(H6), C7(H7), C9(H9), C10(H10), C14(H14), C15(H15), C17(H17), C18(H18),
 C6'(H6'), C7'(H7'), C9'(H9'), C10'(H10'), C14'(H14'), C15'(H15'), C17'(H17'),
 C18'(H18')
2.d Idealised Me refined as rotating group:
 C19(H19A,H19B,H19C), C20(H20A,H20B,H20C), C21(H21A,H21B,H21C), C19'(H19D,H19E,
 H19F), C20'(H20D,H20E,H20F), C21'(H21D,H21E,H21F)
;
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary       dual
_atom_sites_solution_secondary     difmap
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 0.35773(3) 0.51184(13) 0.54439(4) 0.03377(19) Uani 1 1 d . . . . .
 O1 O 0.18119(4) 0.02415(13) 0.29354(4) 0.0262(2) Uani 1 1 d . . . . .
 O2 O -0.07767(5) -0.01024(17) -0.01591(5) 0.0470(3) Uani 1 1 d . . . . .
 O3 O -0.03778(4) -0.30782(15) 0.02704(5) 0.0332(2) Uani 1 1 d . . . . .
 O4 O 0.13372(3) 0.45636(13) 0.19471(4) 0.0249(2) Uani 1 1 d . . . . .
 N1 N 0.16754(4) 0.28874(15) 0.22370(5) 0.0224(2) Uani 1 1 d . . . . .
 C1 C 0.16161(4) 0.19478(18) 0.27561(6) 0.0203(2) Uani 1 1 d . . . . .
 C2 C 0.13182(5) 0.30885(18) 0.31035(6) 0.0214(3) Uani 1 1 d . . . . .
 C3 C 0.10595(5) 0.1726(2) 0.34442(6) 0.0259(3) Uani 1 1 d . . . . .
 H3A H 0.104850 0.222648 0.386354 0.031 Uiso 1 1 calc R . . . .
 H3B H 0.110498 0.021757 0.342276 0.031 Uiso 1 1 calc R . . . .
 C4 C 0.07154(5) 0.2817(2) 0.28159(6) 0.0250(3) Uani 1 1 d . . . . .
 H4 H 0.052009 0.402890 0.288955 0.030 Uiso 1 1 calc R . . . .
 C5 C 0.04256(5) 0.17214(19) 0.21825(6) 0.0241(3) Uani 1 1 d . . . . .
 C6 C 0.05335(5) -0.0305(2) 0.20552(6) 0.0262(3) Uani 1 1 d . . . . .
 H6 H 0.080383 -0.106038 0.238758 0.031 Uiso 1 1 calc R . . . .
 C7 C 0.02510(5) -0.1229(2) 0.14499(6) 0.0271(3) Uani 1 1 d . . . . .
 H7 H 0.033180 -0.260112 0.137060 0.032 Uiso 1 1 calc R . . . .
 C8 C -0.01510(5) -0.0150(2) 0.09575(6) 0.0259(3) Uani 1 1 d . . . . .
 C9 C -0.02635(5) 0.1863(2) 0.10822(7) 0.0282(3) Uani 1 1 d . . . . .
 H9 H -0.053638 0.261261 0.075130 0.034 Uiso 1 1 calc R . . . .
 C10 C 0.00205(5) 0.2776(2) 0.16863(6) 0.0264(3) Uani 1 1 d . . . . .
 H10 H -0.006196 0.414740 0.176466 0.032 Uiso 1 1 calc R . . . .
 C11 C -0.04690(5) -0.1059(2) 0.03000(6) 0.0289(3) Uani 1 1 d . . . . .
 C12 C 0.15340(5) 0.51560(19) 0.34159(6) 0.0239(3) Uani 1 1 d . . . . .
 H12A H 0.129510 0.571983 0.361494 0.029 Uiso 1 1 calc R . . . .
 H12B H 0.152780 0.611835 0.306386 0.029 Uiso 1 1 calc R . . . .
 C13 C 0.20931(5) 0.50929(18) 0.39426(6) 0.0217(3) Uani 1 1 d . . . . .
 C14 C 0.23247(5) 0.32714(19) 0.42608(6) 0.0231(3) Uani 1 1 d . . . . .
 H14 H 0.213504 0.201218 0.413544 0.028 Uiso 1 1 calc R . . . .
 C15 C 0.28295(5) 0.3268(2) 0.47594(6) 0.0247(3) Uani 1 1 d . . . . .
 H15 H 0.298892 0.202157 0.497028 0.030 Uiso 1 1 calc R . . . .
 C16 C 0.30908(5) 0.5116(2) 0.49381(6) 0.0252(3) Uani 1 1 d . . . . .
 C17 C 0.28850(5) 0.6952(2) 0.46295(6) 0.0267(3) Uani 1 1 d . . . . .
 H17 H 0.308033 0.819821 0.475572 0.032 Uiso 1 1 calc R . . . .
 C18 C 0.23831(5) 0.69237(19) 0.41281(6) 0.0247(3) Uani 1 1 d . . . . .
 H18 H 0.223410 0.817031 0.390725 0.030 Uiso 1 1 calc R . . . .
 C19 C -0.06707(6) -0.4043(2) -0.03600(7) 0.0346(3) Uani 1 1 d . . . . .
 H19A H -0.057333 -0.340125 -0.069982 0.052 Uiso 1 1 calc GR . . . .
 H19B H -0.105082 -0.386565 -0.047457 0.052 Uiso 1 1 calc GR . . . .
 H19C H -0.058612 -0.551697 -0.033250 0.052 Uiso 1 1 calc GR . . . .
 C20 C 0.18326(5) 0.1731(2) 0.17752(6) 0.0268(3) Uani 1 1 d . . . . .
 H20A H 0.151773 0.114856 0.142711 0.040 Uiso 1 1 calc GR . . . .
 H20B H 0.207249 0.061447 0.201002 0.040 Uiso 1 1 calc GR . . . .
 H20C H 0.201319 0.265398 0.157794 0.040 Uiso 1 1 calc GR . . . .
 C21 C 0.16443(6) 0.6295(2) 0.18929(7) 0.0344(3) Uani 1 1 d . . . . .
 H21A H 0.183841 0.591649 0.161833 0.052 Uiso 1 1 calc GR . . . .
 H21B H 0.189570 0.669259 0.233310 0.052 Uiso 1 1 calc GR . . . .
 H21C H 0.140826 0.745540 0.169014 0.052 Uiso 1 1 calc GR . . . .
 F1' F 0.85614(3) 0.34174(13) 1.02184(4) 0.0356(2) Uani 1 1 d . . . . .
 O1' O 0.67902(4) 0.85329(13) 0.77505(4) 0.0274(2) Uani 1 1 d . . . . .
 O2' O 0.40409(4) 1.00716(17) 0.49204(5) 0.0426(3) Uani 1 1 d . . . . .
 O3' O 0.46748(4) 1.24840(15) 0.52355(5) 0.0329(2) Uani 1 1 d . . . . .
 O4' O 0.63156(3) 0.42641(13) 0.67509(4) 0.0264(2) Uani 1 1 d . . . . .
 N1' N 0.66788(4) 0.58293(16) 0.70813(5) 0.0240(2) Uani 1 1 d . . . . .
 C1' C 0.65979(5) 0.68147(18) 0.75779(6) 0.0218(3) Uani 1 1 d . . . . .
 C2' C 0.62961(5) 0.56974(19) 0.79214(6) 0.0230(3) Uani 1 1 d . . . . .
 C3' C 0.60661(5) 0.7029(2) 0.83005(6) 0.0272(3) Uani 1 1 d . . . . .
 H3'A H 0.612580 0.853372 0.830139 0.033 Uiso 1 1 calc R . . . .
 H3'B H 0.606381 0.647301 0.871824 0.033 Uiso 1 1 calc R . . . .
 C4' C 0.56944(5) 0.6058(2) 0.76632(6) 0.0262(3) Uani 1 1 d . . . . .
 H4' H 0.549087 0.485594 0.772637 0.031 Uiso 1 1 calc R . . . .
 C5' C 0.53974(5) 0.7318(2) 0.70655(6) 0.0254(3) Uani 1 1 d . . . . .
 C6' C 0.49478(5) 0.6470(2) 0.65747(7) 0.0281(3) Uani 1 1 d . . . . .
 H6' H 0.484353 0.510610 0.662608 0.034 Uiso 1 1 calc R . . . .
 C7' C 0.46508(5) 0.7582(2) 0.60139(7) 0.0292(3) Uani 1 1 d . . . . .
 H7' H 0.434554 0.697399 0.568845 0.035 Uiso 1 1 calc R . . . .
 C8' C 0.47956(5) 0.9580(2) 0.59228(7) 0.0269(3) Uani 1 1 d . . . . .
 C9' C 0.52427(5) 1.0452(2) 0.64097(7) 0.0279(3) Uani 1 1 d . . . . .
 H9' H 0.534730 1.181277 0.635516 0.033 Uiso 1 1 calc R . . . .
 C10' C 0.55353(5) 0.9338(2) 0.69738(7) 0.0284(3) Uani 1 1 d . . . . .
 H10' H 0.583524 0.996050 0.730426 0.034 Uiso 1 1 calc R . . . .
 C11' C 0.44616(5) 1.0694(2) 0.53107(7) 0.0291(3) Uani 1 1 d . . . . .
 C12' C 0.65087(5) 0.35963(19) 0.82115(6) 0.0249(3) Uani 1 1 d . . . . .
 H12C H 0.648766 0.265797 0.784749 0.030 Uiso 1 1 calc R . . . .
 H12D H 0.627750 0.302669 0.842103 0.030 Uiso 1 1 calc R . . . .
 C13' C 0.70763(5) 0.36160(19) 0.87193(6) 0.0233(3) Uani 1 1 d . . . . .
 C14' C 0.73579(5) 0.17622(19) 0.88914(6) 0.0264(3) Uani 1 1 d . . . . .
 H14' H 0.720061 0.053389 0.866462 0.032 Uiso 1 1 calc R . . . .
 C15' C 0.78606(5) 0.1678(2) 0.93849(6) 0.0283(3) Uani 1 1 d . . . . .
 H15' H 0.804893 0.041272 0.949762 0.034 Uiso 1 1 calc R . . . .
 C16' C 0.80805(5) 0.3480(2) 0.97085(6) 0.0267(3) Uani 1 1 d . . . . .
 C17' C 0.78292(5) 0.5347(2) 0.95389(6) 0.0255(3) Uani 1 1 d . . . . .
 H17' H 0.799686 0.657426 0.975565 0.031 Uiso 1 1 calc R . . . .
 C18' C 0.73242(5) 0.54068(19) 0.90434(6) 0.0245(3) Uani 1 1 d . . . . .
 H18' H 0.714506 0.668956 0.892389 0.029 Uiso 1 1 calc R . . . .
 C19' C 0.43650(5) 1.3632(2) 0.46457(7) 0.0340(3) Uani 1 1 d . . . . .
 H19D H 0.433268 1.282817 0.425488 0.051 Uiso 1 1 calc GR . . . .
 H19E H 0.454089 1.494467 0.464305 0.051 Uiso 1 1 calc GR . . . .
 H19F H 0.401193 1.389941 0.464042 0.051 Uiso 1 1 calc GR . . . .
 C20' C 0.69066(5) 0.6908(2) 0.66742(6) 0.0274(3) Uani 1 1 d . . . . .
 H20D H 0.703741 0.590051 0.644190 0.041 Uiso 1 1 calc GR . . . .
 H20E H 0.720040 0.777580 0.695482 0.041 Uiso 1 1 calc GR . . . .
 H20F H 0.663540 0.777258 0.635187 0.041 Uiso 1 1 calc GR . . . .
 C21' C 0.65929(6) 0.2439(2) 0.66919(8) 0.0363(3) Uani 1 1 d . . . . .
 H21D H 0.680820 0.276053 0.643867 0.054 Uiso 1 1 calc GR . . . .
 H21E H 0.633645 0.136089 0.646428 0.054 Uiso 1 1 calc GR . . . .
 H21F H 0.682261 0.195370 0.713246 0.054 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
 F1 C16 1.3649(14) . ?
 O1 C1 1.2266(15) . ?
 O2 C11 1.2059(17) . ?
 O3 C11 1.3398(17) . ?
 O3 C19 1.4469(16) . ?
 O4 N1 1.4104(13) . ?
 O4 C21 1.4369(16) . ?
 N1 C1 1.3598(16) . ?
 N1 C20 1.4573(16) . ?
 C1 C2 1.5128(16) . ?
 C2 C3 1.5044(17) . ?
 C2 C4 1.5337(16) . ?
 C2 C12 1.5182(17) . ?
 C3 C4 1.5121(18) . ?
 C4 C5 1.4888(18) . ?
 C5 C6 1.3999(18) . ?
 C5 C10 1.3967(18) . ?
 C6 C7 1.3890(19) . ?
 C7 C8 1.3961(18) . ?
 C8 C9 1.3938(19) . ?
 C8 C11 1.4897(18) . ?
 C9 C10 1.3851(19) . ?
 C12 C13 1.5209(17) . ?
 C13 C14 1.3942(17) . ?
 C13 C18 1.3990(17) . ?
 C14 C15 1.3921(18) . ?
 C15 C16 1.3734(18) . ?
 C16 C17 1.3782(19) . ?
 C17 C18 1.3893(18) . ?
 F1' C16' 1.3595(15) . ?
 O1' C1' 1.2284(15) . ?
 O2' C11' 1.2085(17) . ?
 O3' C11' 1.3396(17) . ?
 O3' C19' 1.4500(16) . ?
 O4' N1' 1.4100(13) . ?
 O4' C21' 1.4406(16) . ?
 N1' C1' 1.3574(16) . ?
 N1' C20' 1.4562(16) . ?
 C1' C2' 1.5074(17) . ?
 C2' C3' 1.5004(17) . ?
 C2' C4' 1.5403(17) . ?
 C2' C12' 1.5217(17) . ?
 C3' C4' 1.5129(18) . ?
 C4' C5' 1.4924(18) . ?
 C5' C6' 1.3976(18) . ?
 C5' C10' 1.4006(19) . ?
 C6' C7' 1.387(2) . ?
 C7' C8' 1.3931(19) . ?
 C8' C9' 1.3961(18) . ?
 C8' C11' 1.4882(19) . ?
 C9' C10' 1.3899(19) . ?
 C12' C13' 1.5226(17) . ?
 C13' C14' 1.3996(18) . ?
 C13' C18' 1.3939(18) . ?
 C14' C15' 1.3847(19) . ?
 C15' C16' 1.3794(19) . ?
 C16' C17' 1.3715(19) . ?
 C17' C18' 1.3904(18) . ?

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
 C11 O3 C19 115.17(11) . . ?
 N1 O4 C21 109.64(9) . . ?
 O4 N1 C20 113.76(9) . . ?
 C1 N1 O4 116.89(9) . . ?
 C1 N1 C20 121.37(10) . . ?
 O1 C1 N1 119.60(11) . . ?
 O1 C1 C2 122.28(11) . . ?
 N1 C1 C2 118.10(10) . . ?
 C1 C2 C4 116.34(10) . . ?
 C1 C2 C12 117.95(10) . . ?
 C3 C2 C1 114.70(10) . . ?
 C3 C2 C4 59.69(8) . . ?
 C3 C2 C12 118.03(10) . . ?
 C12 C2 C4 117.14(10) . . ?
 C2 C3 C4 61.12(8) . . ?
 C3 C4 C2 59.19(8) . . ?
 C5 C4 C2 122.53(10) . . ?
 C5 C4 C3 123.26(11) . . ?
 C6 C5 C4 123.94(11) . . ?
 C10 C5 C4 118.05(11) . . ?
 C10 C5 C6 118.01(12) . . ?
 C7 C6 C5 120.97(12) . . ?
 C6 C7 C8 120.34(12) . . ?
 C7 C8 C11 122.83(12) . . ?
 C9 C8 C7 119.04(12) . . ?
 C9 C8 C11 118.13(12) . . ?
 C10 C9 C8 120.33(12) . . ?
 C9 C10 C5 121.31(12) . . ?
 O2 C11 O3 123.05(13) . . ?
 O2 C11 C8 124.33(13) . . ?
 O3 C11 C8 112.62(11) . . ?
 C2 C12 C13 114.89(10) . . ?
 C14 C13 C12 122.19(11) . . ?
 C14 C13 C18 118.48(11) . . ?
 C18 C13 C12 119.32(11) . . ?
 C15 C14 C13 121.06(11) . . ?
 C16 C15 C14 118.20(12) . . ?
 F1 C16 C15 118.04(11) . . ?
 F1 C16 C17 118.93(11) . . ?
 C15 C16 C17 123.03(11) . . ?
 C16 C17 C18 117.99(11) . . ?
 C17 C18 C13 121.19(12) . . ?
 C11' O3' C19' 115.10(10) . . ?
 N1' O4' C21' 110.26(9) . . ?
 O4' N1' C20' 114.55(9) . . ?
 C1' N1' O4' 116.73(9) . . ?
 C1' N1' C20' 120.91(11) . . ?
 O1' C1' N1' 119.41(11) . . ?
 O1' C1' C2' 122.34(11) . . ?
 N1' C1' C2' 118.17(11) . . ?
 C1' C2' C4' 117.50(10) . . ?
 C1' C2' C12' 116.45(10) . . ?
 C3' C2' C1' 115.79(11) . . ?
 C3' C2' C4' 59.66(8) . . ?
 C3' C2' C12' 117.24(10) . . ?
 C12' C2' C4' 118.12(10) . . ?
 C2' C3' C4' 61.48(8) . . ?
 C3' C4' C2' 58.86(8) . . ?
 C5' C4' C2' 123.15(10) . . ?
 C5' C4' C3' 121.91(11) . . ?
 C6' C5' C4' 118.69(12) . . ?
 C6' C5' C10' 117.64(12) . . ?
 C10' C5' C4' 123.65(12) . . ?
 C7' C6' C5' 121.24(12) . . ?
 C6' C7' C8' 120.69(12) . . ?
 C7' C8' C9' 118.78(13) . . ?
 C7' C8' C11' 118.20(12) . . ?
 C9' C8' C11' 123.01(12) . . ?
 C10' C9' C8' 120.25(12) . . ?
 C9' C10' C5' 121.39(12) . . ?
 O2' C11' O3' 122.94(13) . . ?
 O2' C11' C8' 124.20(13) . . ?
 O3' C11' C8' 112.85(11) . . ?
 C2' C12' C13' 114.56(10) . . ?
 C14' C13' C12' 119.37(11) . . ?
 C18' C13' C12' 122.56(11) . . ?
 C18' C13' C14' 118.02(11) . . ?
 C15' C14' C13' 121.49(12) . . ?
 C16' C15' C14' 118.24(12) . . ?
 F1' C16' C15' 119.32(12) . . ?
 F1' C16' C17' 118.32(12) . . ?
 C17' C16' C15' 122.36(12) . . ?
 C16' C17' C18' 118.69(12) . . ?
 C17' C18' C13' 121.09(12) . . ?

_olex2_submission_special_instructions  'No special instructions were received'
