# Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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_dd20068
_database_code_depnum_ccdc_archive 'CCDC 2011532'
loop_
_audit_author_name
_audit_author_address
'Chang-Mei Si'
;Fudan University
China
;
_audit_update_record             
;
2020-06-23 deposited with the CCDC.	2020-09-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C22 H24 F3 N O2'
_chemical_formula_weight         391.42

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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   18.7943(14)
_cell_length_b                   11.2236(8)
_cell_length_c                   9.8308(8)
_cell_angle_alpha                90
_cell_angle_beta                 95.655(2)
_cell_angle_gamma                90
_cell_volume                     2063.6(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    9972
_cell_measurement_theta_min      5.524
_cell_measurement_theta_max      50.753

_exptl_crystal_description       prismatic
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.260
_exptl_crystal_F_000             824
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.120
_exptl_absorpt_coefficient_mu    0.098
_shelx_estimated_absorpt_T_min   0.981
_shelx_estimated_absorpt_T_max   0.988
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6406
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(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            30521
_diffrn_reflns_av_unetI/netI     0.0194
_diffrn_reflns_av_R_equivalents  0.0326
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         2.762
_diffrn_reflns_theta_max         25.999
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.996
_reflns_number_total             4041
_reflns_number_gt                2969
_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)+(0.0546P)²+0.4649P] 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       0.037(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         4041
_refine_ls_number_parameters     284
_refine_ls_number_restraints     36
_refine_ls_R_factor_all          0.0670
_refine_ls_R_factor_gt           0.0469
_refine_ls_wR_factor_ref         0.1317
_refine_ls_wR_factor_gt          0.1159
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_restrained_S_all      1.114
_refine_ls_shift/su_max          0.006
_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
O1 O 0.17064(7) 0.40044(10) 0.85812(11) 0.0677(4) Uani 1 1 d . . . . .
O2 O 0.22359(6) 0.54547(10) 0.74342(10) 0.0610(3) Uani 1 1 d . . . . .
N1 N 0.16689(7) 0.39707(11) 0.62718(12) 0.0519(3) Uani 1 1 d . . . . .
C1 C 0.12528(9) 0.28653(14) 0.61444(17) 0.0603(4) Uani 1 1 d . . . . .
H1A H 0.1193 0.2554 0.7046 0.072 Uiso 1 1 calc R U . . .
H1B H 0.1507 0.2275 0.5658 0.072 Uiso 1 1 calc R U . . .
C2 C 0.05304(10) 0.30960(15) 0.53825(17) 0.0636(5) Uani 1 1 d . . . . .
H2A H 0.0317 0.2341 0.5087 0.076 Uiso 1 1 calc R U . . .
H2B H 0.0223 0.3465 0.5999 0.076 Uiso 1 1 calc R U . . .
C3 C 0.05662(9) 0.38882(14) 0.41550(16) 0.0550(4) Uani 1 1 d . . . . .
C4 C -0.00232(10) 0.39911(17) 0.31844(18) 0.0685(5) Uani 1 1 d . . . . .
H4 H -0.0435 0.3558 0.3299 0.082 Uiso 1 1 calc R U . . .
C5 C -0.00112(11) 0.47157(19) 0.20648(18) 0.0742(5) Uani 1 1 d . . . . .
H5 H -0.0411 0.4771 0.1430 0.089 Uiso 1 1 calc R U . . .
C6 C 0.05923(11) 0.53580(18) 0.18842(17) 0.0720(5) Uani 1 1 d . . . . .
H6 H 0.0604 0.5849 0.1125 0.086 Uiso 1 1 calc R U . . .
C7 C 0.11798(10) 0.52751(16) 0.28280(16) 0.0628(5) Uani 1 1 d . . . . .
H7 H 0.1588 0.5711 0.2699 0.075 Uiso 1 1 calc R U . . .
C8 C 0.11740(8) 0.45477(13) 0.39768(15) 0.0517(4) Uani 1 1 d . . . . .
C9 C 0.18389(8) 0.44981(14) 0.49851(14) 0.0520(4) Uani 1 1 d . . . . .
H9 H 0.2001 0.5317 0.5171 0.062 Uiso 1 1 calc R U . . .
C10 C 0.24450(9) 0.38171(17) 0.43715(18) 0.0667(5) Uani 1 1 d . . . . .
H10A H 0.2286 0.3010 0.4160 0.080 Uiso 1 1 calc R U . . .
H10B H 0.2540 0.4197 0.3522 0.080 Uiso 1 1 calc R U . . .
C11 C 0.31269(9) 0.37697(16) 0.53041(18) 0.0631(5) Uani 1 1 d . . . . .
C12 C 0.36402(11) 0.46441(19) 0.5280(2) 0.0830(6) Uani 1 1 d . . . . .
H12 H 0.3567 0.5271 0.4664 0.100 Uiso 1 1 calc R U . . .
C13 C 0.42607(11) 0.4605(2) 0.6155(3) 0.0958(7) Uani 1 1 d . . . . .
H13 H 0.4597 0.5210 0.6132 0.115 Uiso 1 1 calc R U . . .
C14 C 0.43833(11) 0.3683(2) 0.7054(2) 0.0880(6) Uani 1 1 d . . . . .
C15 C 0.38831(13) 0.2813(2) 0.7097(3) 0.0963(7) Uani 1 1 d . . . . .
H15 H 0.3960 0.2188 0.7715 0.116 Uiso 1 1 calc R U . . .
C16 C 0.32601(11) 0.28534(19) 0.6226(2) 0.0825(6) Uani 1 1 d . . . . .
H16 H 0.2924 0.2250 0.6263 0.099 Uiso 1 1 calc R U . . .
C17 C 0.50561(17) 0.3632(4) 0.7995(4) 0.1317(11) Uani 1 1 d . . . . .
C18 C 0.18600(8) 0.44386(13) 0.75200(15) 0.0506(4) Uani 1 1 d . . . . .
C19 C 0.25245(10) 0.60914(15) 0.86662(17) 0.0636(5) Uani 1 1 d . . . . .
C20 C 0.29281(14) 0.7102(2) 0.8082(2) 0.1011(8) Uani 1 1 d . . . . .
H20A H 0.3300 0.6785 0.7585 0.152 Uiso 1 1 calc R U . . .
H20B H 0.3135 0.7598 0.8812 0.152 Uiso 1 1 calc R U . . .
H20C H 0.2606 0.7567 0.7477 0.152 Uiso 1 1 calc R U . . .
C21 C 0.30162(15) 0.5306(2) 0.9571(3) 0.1204(10) Uani 1 1 d . . . . .
H21A H 0.2741 0.4706 0.9978 0.181 Uiso 1 1 calc R U . . .
H21B H 0.3268 0.5779 1.0276 0.181 Uiso 1 1 calc R U . . .
H21C H 0.3353 0.4931 0.9035 0.181 Uiso 1 1 calc R U . . .
C22 C 0.19160(13) 0.6574(2) 0.9394(2) 0.0905(7) Uani 1 1 d . . . . .
H22B H 0.1574 0.6954 0.8744 0.136 Uiso 1 1 calc R U . . .
H22A H 0.2097 0.7144 1.0069 0.136 Uiso 1 1 calc R U . . .
H22C H 0.1689 0.5932 0.9831 0.136 Uiso 1 1 calc R U . . .
F1 F 0.5079(4) 0.2852(8) 0.8929(9) 0.185(2) Uani 0.5 1 d . U P A 1
F2 F 0.5221(4) 0.4741(8) 0.8561(9) 0.185(2) Uani 0.5 1 d . U P A 1
F3 F 0.5617(3) 0.3491(10) 0.7265(7) 0.184(2) Uani 0.5 1 d . U P A 1
F1' F 0.5377(3) 0.2557(7) 0.7941(9) 0.189(2) Uani 0.5 1 d . U P A 2
F2' F 0.4937(3) 0.3752(9) 0.9300(7) 0.1736(19) Uani 0.5 1 d . U P A 2
F3' F 0.5528(3) 0.4390(9) 0.7739(9) 0.185(2) Uani 0.5 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
O1 C18 1.2119(18) . ?
O2 C18 1.3485(18) . ?
O2 C19 1.4636(18) . ?
N1 C18 1.3504(19) . ?
N1 C9 1.4603(18) . ?
N1 C1 1.4652(19) . ?
C1 C2 1.507(2) . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C2 C3 1.506(2) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C3 C8 1.387(2) . ?
C3 C4 1.394(2) . ?
C4 C5 1.371(3) . ?
C4 H4 0.9300 . ?
C5 C6 1.370(3) . ?
C5 H5 0.9300 . ?
C6 C7 1.374(2) . ?
C6 H6 0.9300 . ?
C7 C8 1.395(2) . ?
C7 H7 0.9300 . ?
C8 C9 1.518(2) . ?
C9 C10 1.543(2) . ?
C9 H9 0.9800 . ?
C10 C11 1.501(2) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 C16 1.377(3) . ?
C11 C12 1.378(3) . ?
C12 C13 1.380(3) . ?
C12 H12 0.9300 . ?
C13 C14 1.366(3) . ?
C13 H13 0.9300 . ?
C14 C15 1.359(3) . ?
C14 C17 1.493(4) . ?
C15 C16 1.382(3) . ?
C15 H15 0.9300 . ?
C16 H16 0.9300 . ?
C17 F1 1.266(7) . ?
C17 F3' 1.271(7) . ?
C17 F2' 1.330(7) . ?
C17 F3 1.341(7) . ?
C17 F1' 1.352(7) . ?
C17 F2 1.385(8) . ?
C19 C21 1.503(3) . ?
C19 C22 1.508(3) . ?
C19 C20 1.510(3) . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22A 0.9600 . ?
C22 H22C 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
C18 O2 C19 120.99(12) . . ?
C18 N1 C9 124.62(12) . . ?
C18 N1 C1 119.93(13) . . ?
C9 N1 C1 115.45(12) . . ?
N1 C1 C2 110.13(13) . . ?
N1 C1 H1A 109.6 . . ?
C2 C1 H1A 109.6 . . ?
N1 C1 H1B 109.6 . . ?
C2 C1 H1B 109.6 . . ?
H1A C1 H1B 108.1 . . ?
C3 C2 C1 112.98(14) . . ?
C3 C2 H2A 109.0 . . ?
C1 C2 H2A 109.0 . . ?
C3 C2 H2B 109.0 . . ?
C1 C2 H2B 109.0 . . ?
H2A C2 H2B 107.8 . . ?
C8 C3 C4 118.58(16) . . ?
C8 C3 C2 121.26(14) . . ?
C4 C3 C2 120.15(15) . . ?
C5 C4 C3 121.60(18) . . ?
C5 C4 H4 119.2 . . ?
C3 C4 H4 119.2 . . ?
C6 C5 C4 119.71(17) . . ?
C6 C5 H5 120.1 . . ?
C4 C5 H5 120.1 . . ?
C5 C6 C7 119.83(17) . . ?
C5 C6 H6 120.1 . . ?
C7 C6 H6 120.1 . . ?
C6 C7 C8 121.11(17) . . ?
C6 C7 H7 119.4 . . ?
C8 C7 H7 119.4 . . ?
C3 C8 C7 119.16(15) . . ?
C3 C8 C9 122.24(14) . . ?
C7 C8 C9 118.60(14) . . ?
N1 C9 C8 110.13(12) . . ?
N1 C9 C10 111.76(13) . . ?
C8 C9 C10 110.79(12) . . ?
N1 C9 H9 108.0 . . ?
C8 C9 H9 108.0 . . ?
C10 C9 H9 108.0 . . ?
C11 C10 C9 113.42(14) . . ?
C11 C10 H10A 108.9 . . ?
C9 C10 H10A 108.9 . . ?
C11 C10 H10B 108.9 . . ?
C9 C10 H10B 108.9 . . ?
H10A C10 H10B 107.7 . . ?
C16 C11 C12 117.46(18) . . ?
C16 C11 C10 121.13(17) . . ?
C12 C11 C10 121.41(17) . . ?
C11 C12 C13 121.1(2) . . ?
C11 C12 H12 119.4 . . ?
C13 C12 H12 119.4 . . ?
C14 C13 C12 120.4(2) . . ?
C14 C13 H13 119.8 . . ?
C12 C13 H13 119.8 . . ?
C15 C14 C13 119.5(2) . . ?
C15 C14 C17 120.0(3) . . ?
C13 C14 C17 120.6(3) . . ?
C14 C15 C16 120.2(2) . . ?
C14 C15 H15 119.9 . . ?
C16 C15 H15 119.9 . . ?
C11 C16 C15 121.4(2) . . ?
C11 C16 H16 119.3 . . ?
C15 C16 H16 119.3 . . ?
F3' C17 F2' 108.1(6) . . ?
F1 C17 F3 109.5(5) . . ?
F3' C17 F1' 105.5(5) . . ?
F2' C17 F1' 104.3(6) . . ?
F1 C17 F2 109.8(6) . . ?
F3 C17 F2 99.5(6) . . ?
F1 C17 C14 116.2(4) . . ?
F3' C17 C14 114.6(4) . . ?
F2' C17 C14 112.4(4) . . ?
F3 C17 C14 109.5(4) . . ?
F1' C17 C14 111.3(4) . . ?
F2 C17 C14 110.9(4) . . ?
O1 C18 O2 124.38(14) . . ?
O1 C18 N1 124.14(14) . . ?
O2 C18 N1 111.48(13) . . ?
O2 C19 C21 111.05(16) . . ?
O2 C19 C22 109.36(15) . . ?
C21 C19 C22 112.4(2) . . ?
O2 C19 C20 102.20(14) . . ?
C21 C19 C20 111.29(19) . . ?
C22 C19 C20 110.07(18) . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C19 C22 H22B 109.5 . . ?
C19 C22 H22A 109.5 . . ?
H22B C22 H22A 109.5 . . ?
C19 C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
H22A C22 H22C 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
C18 N1 C1 C2 116.18(16) . . . . ?
C9 N1 C1 C2 -63.01(18) . . . . ?
N1 C1 C2 C3 43.07(19) . . . . ?
C1 C2 C3 C8 -14.7(2) . . . . ?
C1 C2 C3 C4 166.71(15) . . . . ?
C8 C3 C4 C5 0.5(3) . . . . ?
C2 C3 C4 C5 179.17(17) . . . . ?
C3 C4 C5 C6 0.1(3) . . . . ?
C4 C5 C6 C7 -0.2(3) . . . . ?
C5 C6 C7 C8 -0.2(3) . . . . ?
C4 C3 C8 C7 -0.9(2) . . . . ?
C2 C3 C8 C7 -179.55(15) . . . . ?
C4 C3 C8 C9 179.61(14) . . . . ?
C2 C3 C8 C9 1.0(2) . . . . ?
C6 C7 C8 C3 0.8(2) . . . . ?
C6 C7 C8 C9 -179.76(15) . . . . ?
C18 N1 C9 C8 -131.48(15) . . . . ?
C1 N1 C9 C8 47.67(17) . . . . ?
C18 N1 C9 C10 104.92(17) . . . . ?
C1 N1 C9 C10 -75.93(17) . . . . ?
C3 C8 C9 N1 -16.1(2) . . . . ?
C7 C8 C9 N1 164.41(14) . . . . ?
C3 C8 C9 C10 108.02(17) . . . . ?
C7 C8 C9 C10 -71.43(18) . . . . ?
N1 C9 C10 C11 -58.59(19) . . . . ?
C8 C9 C10 C11 178.18(14) . . . . ?
C9 C10 C11 C16 90.0(2) . . . . ?
C9 C10 C11 C12 -89.4(2) . . . . ?
C16 C11 C12 C13 -0.5(3) . . . . ?
C10 C11 C12 C13 178.97(19) . . . . ?
C11 C12 C13 C14 1.0(4) . . . . ?
C12 C13 C14 C15 -1.1(4) . . . . ?
C12 C13 C14 C17 179.6(3) . . . . ?
C13 C14 C15 C16 0.8(4) . . . . ?
C17 C14 C15 C16 -179.9(3) . . . . ?
C12 C11 C16 C15 0.2(3) . . . . ?
C10 C11 C16 C15 -179.26(19) . . . . ?
C14 C15 C16 C11 -0.4(4) . . . . ?
C15 C14 C17 F1 -9.6(8) . . . . ?
C13 C14 C17 F1 169.7(7) . . . . ?
C15 C14 C17 F3' 170.5(7) . . . . ?
C13 C14 C17 F3' -10.3(8) . . . . ?
C15 C14 C17 F2' -65.6(7) . . . . ?
C13 C14 C17 F2' 113.7(7) . . . . ?
C15 C14 C17 F3 115.1(7) . . . . ?
C13 C14 C17 F3 -65.6(7) . . . . ?
C15 C14 C17 F1' 50.9(7) . . . . ?
C13 C14 C17 F1' -129.8(6) . . . . ?
C15 C14 C17 F2 -136.0(6) . . . . ?
C13 C14 C17 F2 43.3(7) . . . . ?
C19 O2 C18 O1 3.2(2) . . . . ?
C19 O2 C18 N1 -177.45(14) . . . . ?
C9 N1 C18 O1 178.75(15) . . . . ?
C1 N1 C18 O1 -0.4(2) . . . . ?
C9 N1 C18 O2 -0.6(2) . . . . ?
C1 N1 C18 O2 -179.71(13) . . . . ?
C18 O2 C19 C21 58.1(2) . . . . ?
C18 O2 C19 C22 -66.5(2) . . . . ?
C18 O2 C19 C20 176.90(16) . . . . ?

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
C22 H22C O1 0.96 2.49 3.009(2) 113.8 .
C21 H21A O1 0.96 2.40 2.944(3) 115.5 .
C10 H10A O1 0.97 2.55 3.514(2) 172.6 4_565
C1 H1B O1 0.97 2.55 3.450(2) 153.7 4_565
C1 H1B O1 0.97 2.55 3.450(2) 153.7 4_565
C10 H10A O1 0.97 2.55 3.514(2) 172.6 4_565
C21 H21A O1 0.96 2.40 2.944(3) 115.5 .
C22 H22C O1 0.96 2.49 3.009(2) 113.8 .

_refine_diff_density_max         0.196
_refine_diff_density_min         -0.126
_refine_diff_density_rms         0.030

_shelxl_version_number           2013-4

