# Electronic Supplementary Material (ESI) for Organic Chemistry Frontiers.
# This journal is © the Partner Organisations 2021

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_mo_d8v19040_0m
_database_code_depnum_ccdc_archive 'CCDC 2069152'
loop_
_audit_author_name
_audit_author_address
'Hao Li'
;University of Science and Technology
China
;
_audit_update_record             
;
2021-03-10 deposited with the CCDC.	2021-06-03 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C25 H21 F2 N3 O'
_chemical_formula_weight         417.45

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 '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 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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. 
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   8.5086(6)
_cell_length_b                   10.5713(7)
_cell_length_c                   12.6956(10)
_cell_angle_alpha                72.392(2)
_cell_angle_beta                 82.024(2)
_cell_angle_gamma                76.981(2)
_cell_volume                     1057.38(13)
_cell_formula_units_Z            2
_cell_measurement_temperature    193(2)
_cell_measurement_reflns_used    8992
_cell_measurement_theta_min      5.759
_cell_measurement_theta_max      55.361

_exptl_crystal_description       prismatic
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.311
_exptl_crystal_F_000             436
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.130
_exptl_absorpt_coefficient_mu    0.094
_shelx_estimated_absorpt_T_min   0.983
_shelx_estimated_absorpt_T_max   0.988
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6526
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      193(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            15468
_diffrn_reflns_av_unetI/netI     0.0282
_diffrn_reflns_av_R_equivalents  0.0309
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         2.879
_diffrn_reflns_theta_max         25.999
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measured_fraction_theta_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_point_group_measured_fraction_full 0.989
_reflns_number_total             4115
_reflns_number_gt                3584
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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. 
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 ? 
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0363P)²+0.3096P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       ?
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         4115
_refine_ls_number_parameters     283
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0443
_refine_ls_R_factor_gt           0.0375
_refine_ls_wR_factor_ref         0.0946
_refine_ls_wR_factor_gt          0.0895
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_restrained_S_all      1.037
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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 0.00771(9) 0.66533(8) 0.72754(6) 0.0408(2) Uani 1 1 d . . . . .
F2 F 0.14114(10) 0.79237(8) 0.77326(6) 0.0407(2) Uani 1 1 d . . . . .
O1 O 0.39641(13) 0.25343(10) 1.15322(8) 0.0477(3) Uani 1 1 d . . . . .
N1 N 0.38641(12) 0.56690(10) 0.64281(8) 0.0305(2) Uani 1 1 d . . . . .
N2 N 0.19100(12) 0.92922(10) 0.35829(9) 0.0312(3) Uani 1 1 d . . . . .
N3 N 0.1645(2) 1.0983(2) -0.03333(13) 0.0803(5) Uani 1 1 d . . . . .
C1 C 0.21132(17) 0.52446(14) 0.92899(11) 0.0393(3) Uani 1 1 d . . . . .
H1 H 0.1147 0.5912 0.9196 0.047 Uiso 1 1 calc R U . . .
C2 C 0.24129(17) 0.43698(15) 1.03297(12) 0.0425(3) Uani 1 1 d . . . . .
H2 H 0.1657 0.4447 1.0943 0.051 Uiso 1 1 calc R U . . .
C3 C 0.38057(17) 0.33827(14) 1.04835(11) 0.0370(3) Uani 1 1 d . . . . .
C4 C 0.49359(17) 0.33148(14) 0.95934(11) 0.0402(3) Uani 1 1 d . . . . .
H4 H 0.5914 0.2662 0.9694 0.048 Uiso 1 1 calc R U . . .
C5 C 0.46330(16) 0.41991(14) 0.85607(11) 0.0371(3) Uani 1 1 d . . . . .
H5 H 0.5420 0.4149 0.7958 0.045 Uiso 1 1 calc R U . . .
C6 C 0.32130(15) 0.51607(12) 0.83742(10) 0.0317(3) Uani 1 1 d . . . . .
C7 C 0.29167(14) 0.59902(12) 0.72167(10) 0.0294(3) Uani 1 1 d . . . . .
C8 C 0.14766(15) 0.71761(13) 0.70047(10) 0.0311(3) Uani 1 1 d . . . . .
C9 C 0.14611(15) 0.80919(12) 0.58468(10) 0.0301(3) Uani 1 1 d . . . . .
H9A H 0.2245 0.8695 0.5729 0.036 Uiso 1 1 calc R U . . .
H9B H 0.0371 0.8660 0.5715 0.036 Uiso 1 1 calc R U . . .
C10 C 0.19177(14) 0.72169(12) 0.50528(10) 0.0280(3) Uani 1 1 d . . . . .
H10 H 0.1176 0.6555 0.5254 0.034 Uiso 1 1 calc R U . . .
C11 C 0.36614(14) 0.63991(12) 0.52614(10) 0.0279(3) Uani 1 1 d . . . . .
H11 H 0.3852 0.5697 0.4853 0.033 Uiso 1 1 calc R U . . .
C12 C 0.17510(14) 0.79952(12) 0.38525(10) 0.0280(3) Uani 1 1 d . . . . .
C13 C 0.14760(15) 0.73772(13) 0.30755(11) 0.0335(3) Uani 1 1 d . . . . .
C14 C 0.14185(17) 0.81544(15) 0.19827(11) 0.0396(3) Uani 1 1 d . . . . .
H14 H 0.1234 0.7779 0.1429 0.047 Uiso 1 1 calc R U . . .
C15 C 0.16312(16) 0.94852(15) 0.16965(11) 0.0390(3) Uani 1 1 d . . . . .
C16 C 0.18568(15) 1.00170(13) 0.25250(11) 0.0352(3) Uani 1 1 d . . . . .
H16 H 0.1978 1.0933 0.2330 0.042 Uiso 1 1 calc R U . . .
C17 C 0.1623(2) 1.03174(18) 0.05625(13) 0.0541(4) Uani 1 1 d . . . . .
C18 C 0.1201(2) 0.59456(15) 0.33969(13) 0.0467(4) Uani 1 1 d . . . . .
H18A H 0.2132 0.5328 0.3768 0.070 Uiso 1 1 calc R U . . .
H18B H 0.1069 0.5707 0.2731 0.070 Uiso 1 1 calc R U . . .
H18C H 0.0223 0.5871 0.3901 0.070 Uiso 1 1 calc R U . . .
C19 C 0.49979(14) 0.72170(11) 0.48232(10) 0.0280(3) Uani 1 1 d . . . . .
C20 C 0.56384(16) 0.77704(14) 0.54895(11) 0.0371(3) Uani 1 1 d . . . . .
H20 H 0.5244 0.7638 0.6245 0.044 Uiso 1 1 calc R U . . .
C21 C 0.68480(17) 0.85149(15) 0.50642(13) 0.0443(4) Uani 1 1 d . . . . .
H21 H 0.7256 0.8908 0.5524 0.053 Uiso 1 1 calc R U . . .
C22 C 0.74606(16) 0.86865(14) 0.39764(13) 0.0424(3) Uani 1 1 d . . . . .
H22 H 0.8293 0.9193 0.3688 0.051 Uiso 1 1 calc R U . . .
C23 C 0.68593(16) 0.81192(13) 0.33089(12) 0.0391(3) Uani 1 1 d . . . . .
H23 H 0.7286 0.8226 0.2562 0.047 Uiso 1 1 calc R U . . .
C24 C 0.56341(15) 0.73939(12) 0.37292(10) 0.0326(3) Uani 1 1 d . . . . .
H24 H 0.5222 0.7011 0.3264 0.039 Uiso 1 1 calc R U . . .
C25 C 0.5259(2) 0.13926(17) 1.16762(13) 0.0534(4) Uani 1 1 d . . . . .
H25A H 0.5179 0.0864 1.1178 0.080 Uiso 1 1 calc R U . . .
H25B H 0.5196 0.0828 1.2445 0.080 Uiso 1 1 calc R U . . .
H25C H 0.6293 0.1700 1.1504 0.080 Uiso 1 1 calc R U . . .


_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 C8 1.3819(14) . ?
F2 C8 1.3745(14) . ?
O1 C3 1.3668(16) . ?
O1 C25 1.4238(19) . ?
N1 C7 1.2751(16) . ?
N1 C11 1.4625(15) . ?
N2 C16 1.3311(16) . ?
N2 C12 1.3425(16) . ?
N3 C17 1.142(2) . ?
C1 C2 1.3825(19) . ?
C1 C6 1.3994(18) . ?
C1 H1 0.9500 . ?
C2 C3 1.384(2) . ?
C2 H2 0.9500 . ?
C3 C4 1.387(2) . ?
C4 C5 1.3795(18) . ?
C4 H4 0.9500 . ?
C5 C6 1.3891(18) . ?
C5 H5 0.9500 . ?
C6 C7 1.4885(17) . ?
C7 C8 1.5300(17) . ?
C8 C9 1.4956(17) . ?
C9 C10 1.5219(17) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 C12 1.5059(16) . ?
C10 C11 1.5528(16) . ?
C10 H10 1.0000 . ?
C11 C19 1.5253(17) . ?
C11 H11 1.0000 . ?
C12 C13 1.4061(18) . ?
C13 C14 1.3833(19) . ?
C13 C18 1.5070(19) . ?
C14 C15 1.390(2) . ?
C14 H14 0.9500 . ?
C15 C16 1.386(2) . ?
C15 C17 1.442(2) . ?
C16 H16 0.9500 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 C20 1.3877(18) . ?
C19 C24 1.3917(17) . ?
C20 C21 1.387(2) . ?
C20 H20 0.9500 . ?
C21 C22 1.380(2) . ?
C21 H21 0.9500 . ?
C22 C23 1.380(2) . ?
C22 H22 0.9500 . ?
C23 C24 1.3848(19) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?

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
C3 O1 C25 117.10(12) . . ?
C7 N1 C11 122.86(10) . . ?
C16 N2 C12 118.55(11) . . ?
C2 C1 C6 120.91(13) . . ?
C2 C1 H1 119.5 . . ?
C6 C1 H1 119.5 . . ?
C1 C2 C3 120.49(13) . . ?
C1 C2 H2 119.8 . . ?
C3 C2 H2 119.8 . . ?
O1 C3 C2 116.16(12) . . ?
O1 C3 C4 124.47(13) . . ?
C2 C3 C4 119.37(12) . . ?
C5 C4 C3 119.69(13) . . ?
C5 C4 H4 120.2 . . ?
C3 C4 H4 120.2 . . ?
C4 C5 C6 122.05(12) . . ?
C4 C5 H5 119.0 . . ?
C6 C5 H5 119.0 . . ?
C5 C6 C1 117.39(12) . . ?
C5 C6 C7 118.53(11) . . ?
C1 C6 C7 124.02(11) . . ?
N1 C7 C6 118.47(11) . . ?
N1 C7 C8 122.02(11) . . ?
C6 C7 C8 119.49(10) . . ?
F2 C8 F1 104.82(9) . . ?
F2 C8 C9 109.26(10) . . ?
F1 C8 C9 109.62(10) . . ?
F2 C8 C7 109.65(10) . . ?
F1 C8 C7 107.94(10) . . ?
C9 C8 C7 115.04(10) . . ?
C8 C9 C10 108.11(10) . . ?
C8 C9 H9A 110.1 . . ?
C10 C9 H9A 110.1 . . ?
C8 C9 H9B 110.1 . . ?
C10 C9 H9B 110.1 . . ?
H9A C9 H9B 108.4 . . ?
C12 C10 C9 114.07(10) . . ?
C12 C10 C11 112.03(10) . . ?
C9 C10 C11 107.75(10) . . ?
C12 C10 H10 107.6 . . ?
C9 C10 H10 107.6 . . ?
C11 C10 H10 107.6 . . ?
N1 C11 C19 108.87(10) . . ?
N1 C11 C10 112.96(10) . . ?
C19 C11 C10 115.02(9) . . ?
N1 C11 H11 106.5 . . ?
C19 C11 H11 106.5 . . ?
C10 C11 H11 106.5 . . ?
N2 C12 C13 123.10(11) . . ?
N2 C12 C10 115.57(11) . . ?
C13 C12 C10 121.32(11) . . ?
C14 C13 C12 117.16(12) . . ?
C14 C13 C18 120.11(12) . . ?
C12 C13 C18 122.70(12) . . ?
C13 C14 C15 119.82(13) . . ?
C13 C14 H14 120.1 . . ?
C15 C14 H14 120.1 . . ?
C16 C15 C14 118.86(12) . . ?
C16 C15 C17 119.62(14) . . ?
C14 C15 C17 121.51(14) . . ?
N2 C16 C15 122.45(12) . . ?
N2 C16 H16 118.8 . . ?
C15 C16 H16 118.8 . . ?
N3 C17 C15 178.58(19) . . ?
C13 C18 H18A 109.5 . . ?
C13 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C13 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C20 C19 C24 118.30(12) . . ?
C20 C19 C11 122.11(11) . . ?
C24 C19 C11 119.57(11) . . ?
C21 C20 C19 120.70(13) . . ?
C21 C20 H20 119.7 . . ?
C19 C20 H20 119.7 . . ?
C22 C21 C20 120.27(14) . . ?
C22 C21 H21 119.9 . . ?
C20 C21 H21 119.9 . . ?
C21 C22 C23 119.73(13) . . ?
C21 C22 H22 120.1 . . ?
C23 C22 H22 120.1 . . ?
C22 C23 C24 119.96(13) . . ?
C22 C23 H23 120.0 . . ?
C24 C23 H23 120.0 . . ?
C23 C24 C19 121.01(13) . . ?
C23 C24 H24 119.5 . . ?
C19 C24 H24 119.5 . . ?
O1 C25 H25A 109.5 . . ?
O1 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
O1 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 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
C6 C1 C2 C3 -0.6(2) . . . . ?
C25 O1 C3 C2 170.93(14) . . . . ?
C25 O1 C3 C4 -9.5(2) . . . . ?
C1 C2 C3 O1 -177.58(13) . . . . ?
C1 C2 C3 C4 2.8(2) . . . . ?
O1 C3 C4 C5 178.17(13) . . . . ?
C2 C3 C4 C5 -2.2(2) . . . . ?
C3 C4 C5 C6 -0.6(2) . . . . ?
C4 C5 C6 C1 2.7(2) . . . . ?
C4 C5 C6 C7 -174.52(12) . . . . ?
C2 C1 C6 C5 -2.1(2) . . . . ?
C2 C1 C6 C7 174.92(13) . . . . ?
C11 N1 C7 C6 178.74(11) . . . . ?
C11 N1 C7 C8 0.04(18) . . . . ?
C5 C6 C7 N1 9.16(18) . . . . ?
C1 C6 C7 N1 -167.88(13) . . . . ?
C5 C6 C7 C8 -172.11(12) . . . . ?
C1 C6 C7 C8 10.86(19) . . . . ?
N1 C7 C8 F2 -135.68(12) . . . . ?
C6 C7 C8 F2 45.64(15) . . . . ?
N1 C7 C8 F1 110.67(13) . . . . ?
C6 C7 C8 F1 -68.01(14) . . . . ?
N1 C7 C8 C9 -12.07(17) . . . . ?
C6 C7 C8 C9 169.25(11) . . . . ?
F2 C8 C9 C10 167.26(10) . . . . ?
F1 C8 C9 C10 -78.39(12) . . . . ?
C7 C8 C9 C10 43.45(14) . . . . ?
C8 C9 C10 C12 172.76(10) . . . . ?
C8 C9 C10 C11 -62.19(12) . . . . ?
C7 N1 C11 C19 108.23(13) . . . . ?
C7 N1 C11 C10 -20.84(16) . . . . ?
C12 C10 C11 N1 178.18(10) . . . . ?
C9 C10 C11 N1 51.92(13) . . . . ?
C12 C10 C11 C19 52.34(14) . . . . ?
C9 C10 C11 C19 -73.92(13) . . . . ?
C16 N2 C12 C13 -2.21(17) . . . . ?
C16 N2 C12 C10 176.67(10) . . . . ?
C9 C10 C12 N2 27.09(15) . . . . ?
C11 C10 C12 N2 -95.66(12) . . . . ?
C9 C10 C12 C13 -154.00(11) . . . . ?
C11 C10 C12 C13 83.24(14) . . . . ?
N2 C12 C13 C14 1.90(18) . . . . ?
C10 C12 C13 C14 -176.92(11) . . . . ?
N2 C12 C13 C18 -176.28(12) . . . . ?
C10 C12 C13 C18 4.90(18) . . . . ?
C12 C13 C14 C15 0.09(19) . . . . ?
C18 C13 C14 C15 178.32(13) . . . . ?
C13 C14 C15 C16 -1.6(2) . . . . ?
C13 C14 C15 C17 178.33(13) . . . . ?
C12 N2 C16 C15 0.52(18) . . . . ?
C14 C15 C16 N2 1.4(2) . . . . ?
C17 C15 C16 N2 -178.58(13) . . . . ?
N1 C11 C19 C20 -32.66(15) . . . . ?
C10 C11 C19 C20 95.26(14) . . . . ?
N1 C11 C19 C24 145.72(11) . . . . ?
C10 C11 C19 C24 -86.36(13) . . . . ?
C24 C19 C20 C21 1.91(19) . . . . ?
C11 C19 C20 C21 -179.68(12) . . . . ?
C19 C20 C21 C22 -1.6(2) . . . . ?
C20 C21 C22 C23 0.3(2) . . . . ?
C21 C22 C23 C24 0.7(2) . . . . ?
C22 C23 C24 C19 -0.40(19) . . . . ?
C20 C19 C24 C23 -0.90(18) . . . . ?
C11 C19 C24 C23 -179.35(11) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C25 H25C F2 0.98 2.45 3.3095(19) 145.7 2_667
C16 H16 O1 0.95 2.55 3.3732(17) 144.5 1_564
C2 H2 F1 0.95 2.63 3.4868(16) 150.7 2_567
C2 H2 F1 0.95 2.63 3.4868(16) 150.7 2_567
C16 H16 O1 0.95 2.55 3.3732(17) 144.5 1_564
C25 H25C F2 0.98 2.45 3.3095(19) 145.7 2_667

_refine_diff_density_max         0.232
_refine_diff_density_min         -0.164
_refine_diff_density_rms         0.030

_shelxl_version_number           2013-4

