# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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_b
_database_code_depnum_ccdc_archive 'CCDC 1887858'
loop_
_audit_author_name
_audit_author_address
Ts
;Jishou University
China
;
_audit_update_record             
;
2018-12-29 deposited with the CCDC.	2019-03-18 downloaded from the CCDC.
;
_audit_creation_date             2018-09-25
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C31 H36 F N O2'
_chemical_formula_sum            'C31 H36 F N O2'
_chemical_formula_weight         473.61
_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 0.0033 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'

_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                   11.4895(9)
_cell_length_b                   22.1743(14)
_cell_length_c                   10.4696(6)
_cell_angle_alpha                90
_cell_angle_beta                 105.076(2)
_cell_angle_gamma                90
_cell_volume                     2575.6(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    3243
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      24.692
_cell_measurement_theta_min      2.214
_shelx_estimated_absorpt_T_max   0.984
_shelx_estimated_absorpt_T_min   0.984
_exptl_absorpt_coefficient_mu    0.080
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6448
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2014/5 (Bruker,2014/5) was used for absorption correction. wR2(int) was 0.1004 before and 0.0570 after correction. The Ratio of minimum to maximum transmission is 0.8648. The λ/2 correction factor is 0.00150.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.221
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1016
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0912
_diffrn_reflns_av_unetI/netI     0.1249
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            18702
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.520
_diffrn_reflns_theta_min         2.053
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3127
_reflns_number_total             5914
_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 v8.34A (Bruker, 2013)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_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         0.235
_refine_diff_density_min         -0.221
_refine_diff_density_rms         0.051
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.999
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     319
_refine_ls_number_reflns         5914
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1500
_refine_ls_R_factor_gt           0.0627
_refine_ls_restrained_S_all      0.999
_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)+(0.0500P)²+0.0025P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1081
_refine_ls_wR_factor_ref         0.1326
_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:
 C7(H7)
2.b Secondary CH2 refined with riding coordinates:
 C13(H13A,H13B), C9(H9A,H9B), C10(H10A,H10B), C27(H27A,H27B), C12(H12A,H12B),
 C26(H26A,H26B), C11(H11A,H11B), C23(H23A,H23B), C24(H24A,H24B), C25(H25A,H25B)
2.c Aromatic/amide H refined with riding coordinates:
 C5(H5), C20(H20), C16(H16), C6(H6), C3(H3), C2(H2)
2.d Idealised Me refined as rotating group:
 C29(H29A,H29B,H29C), C30(H30A,H30B,H30C), C31(H31A,H31B,H31C)
;
_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
F1 F 0.97472(13) 0.38394(6) 0.83924(13) 0.0396(4) Uani 1 1 d . . . . .
O1 O 0.30292(13) 0.62917(7) 0.49808(14) 0.0278(4) Uani 1 1 d . . . . .
O2 O 0.16617(15) 0.59816(7) 0.60225(15) 0.0362(4) Uani 1 1 d . . . . .
N1 N 0.74774(18) 0.66744(8) 0.96867(18) 0.0306(5) Uani 1 1 d . . . . .
C19 C 0.4776(2) 0.59433(9) 0.63822(19) 0.0195(5) Uani 1 1 d . . . . .
C5 C 0.85104(19) 0.53218(10) 0.8457(2) 0.0220(5) Uani 1 1 d . . . . .
H5 H 0.8193 0.5557 0.9020 0.026 Uiso 1 1 calc R . . . .
C15 C 0.67559(19) 0.61954(9) 0.62229(19) 0.0191(5) Uani 1 1 d . . . . .
C14 C 0.7971(2) 0.66792(9) 0.8865(2) 0.0220(5) Uani 1 1 d . . . . .
C20 C 0.60048(19) 0.58971(9) 0.6867(2) 0.0211(5) Uani 1 1 d . . . . .
H20 H 0.6332 0.5668 0.7619 0.025 Uiso 1 1 calc R . . . .
C4 C 0.85871(19) 0.55624(9) 0.72572(19) 0.0190(5) Uani 1 1 d . . . . .
C17 C 0.4976(2) 0.65688(9) 0.45296(19) 0.0206(5) Uani 1 1 d . . . . .
C16 C 0.6219(2) 0.65136(9) 0.50683(19) 0.0207(5) Uani 1 1 d . . . . .
H16 H 0.6724 0.6702 0.4627 0.025 Uiso 1 1 calc R . . . .
C18 C 0.4293(2) 0.62787(9) 0.5265(2) 0.0217(5) Uani 1 1 d . . . . .
C7 C 0.81265(19) 0.61871(9) 0.67726(19) 0.0196(5) Uani 1 1 d . . . . .
H7 H 0.8457 0.6273 0.6018 0.023 Uiso 1 1 calc R . . . .
C13 C 0.8330(2) 0.73257(9) 0.7122(2) 0.0218(5) Uani 1 1 d . . . . .
H13A H 0.8670 0.7339 0.6366 0.026 Uiso 1 1 calc R . . . .
H13B H 0.7464 0.7376 0.6799 0.026 Uiso 1 1 calc R . . . .
C8 C 0.85955(19) 0.67056(9) 0.77937(19) 0.0195(5) Uani 1 1 d . . . . .
C6 C 0.8891(2) 0.47436(10) 0.8839(2) 0.0237(5) Uani 1 1 d . . . . .
H6 H 0.8827 0.4588 0.9643 0.028 Uiso 1 1 calc R . . . .
C21 C 0.37838(19) 0.56607(10) 0.6860(2) 0.0217(5) Uani 1 1 d . . . . .
C3 C 0.9087(2) 0.51974(10) 0.6456(2) 0.0234(5) Uani 1 1 d . . . . .
H3 H 0.9163 0.5348 0.5653 0.028 Uiso 1 1 calc R . . . .
C22 C 0.2696(2) 0.59763(10) 0.5974(2) 0.0256(6) Uani 1 1 d . . . . .
C1 C 0.9363(2) 0.44061(10) 0.8009(2) 0.0256(6) Uani 1 1 d . . . . .
C9 C 0.9967(2) 0.66520(10) 0.8399(2) 0.0258(6) Uani 1 1 d . . . . .
H9A H 1.0135 0.6276 0.8885 0.031 Uiso 1 1 calc R . . . .
H9B H 1.0366 0.6638 0.7689 0.031 Uiso 1 1 calc R . . . .
C28 C 0.4405(2) 0.69062(10) 0.3245(2) 0.0254(6) Uani 1 1 d . . . . .
C2 C 0.9472(2) 0.46182(10) 0.6820(2) 0.0281(6) Uani 1 1 d . . . . .
H2 H 0.9797 0.4378 0.6270 0.034 Uiso 1 1 calc R . . . .
C10 C 1.0491(2) 0.71700(10) 0.9322(2) 0.0306(6) Uani 1 1 d . . . . .
H10A H 1.1359 0.7123 0.9626 0.037 Uiso 1 1 calc R . . . .
H10B H 1.0167 0.7158 1.0090 0.037 Uiso 1 1 calc R . . . .
C27 C 0.3705(2) 0.49804(10) 0.6538(2) 0.0274(6) Uani 1 1 d . . . . .
H27A H 0.3514 0.4929 0.5586 0.033 Uiso 1 1 calc R . . . .
H27B H 0.4486 0.4798 0.6913 0.033 Uiso 1 1 calc R . . . .
C12 C 0.8842(2) 0.78451(10) 0.8050(2) 0.0281(6) Uani 1 1 d . . . . .
H12A H 0.8444 0.7858 0.8761 0.034 Uiso 1 1 calc R . . . .
H12B H 0.8680 0.8223 0.7569 0.034 Uiso 1 1 calc R . . . .
C26 C 0.2762(2) 0.46518(10) 0.7066(2) 0.0334(6) Uani 1 1 d . . . . .
H26A H 0.1965 0.4798 0.6613 0.040 Uiso 1 1 calc R . . . .
H26B H 0.2792 0.4224 0.6886 0.040 Uiso 1 1 calc R . . . .
C11 C 1.0198(2) 0.77770(10) 0.8635(2) 0.0337(6) Uani 1 1 d . . . . .
H11A H 1.0607 0.7811 0.7936 0.040 Uiso 1 1 calc R . . . .
H11B H 1.0488 0.8099 0.9266 0.040 Uiso 1 1 calc R . . . .
C23 C 0.3902(2) 0.57643(10) 0.8337(2) 0.0318(6) Uani 1 1 d . . . . .
H23A H 0.4704 0.5644 0.8835 0.038 Uiso 1 1 calc R . . . .
H23B H 0.3816 0.6192 0.8487 0.038 Uiso 1 1 calc R . . . .
C29 C 0.3632(2) 0.64647(11) 0.2250(2) 0.0398(7) Uani 1 1 d . . . . .
H29A H 0.4135 0.6150 0.2056 0.060 Uiso 1 1 calc GR . . . .
H29B H 0.3250 0.6676 0.1450 0.060 Uiso 1 1 calc GR . . . .
H29C H 0.3027 0.6291 0.2620 0.060 Uiso 1 1 calc GR . . . .
C24 C 0.2973(2) 0.54177(11) 0.8861(2) 0.0372(7) Uani 1 1 d . . . . .
H24A H 0.3147 0.5471 0.9811 0.045 Uiso 1 1 calc R . . . .
H24B H 0.2177 0.5582 0.8469 0.045 Uiso 1 1 calc R . . . .
C25 C 0.2976(2) 0.47497(11) 0.8547(2) 0.0402(7) Uani 1 1 d . . . . .
H25A H 0.2351 0.4548 0.8854 0.048 Uiso 1 1 calc R . . . .
H25B H 0.3746 0.4576 0.9007 0.048 Uiso 1 1 calc R . . . .
C30 C 0.5354(2) 0.71761(11) 0.2626(2) 0.0397(7) Uani 1 1 d . . . . .
H30A H 0.5863 0.7445 0.3246 0.060 Uiso 1 1 calc GR . . . .
H30B H 0.4962 0.7395 0.1840 0.060 Uiso 1 1 calc GR . . . .
H30C H 0.5833 0.6858 0.2404 0.060 Uiso 1 1 calc GR . . . .
C31 C 0.3619(2) 0.74203(11) 0.3527(2) 0.0436(7) Uani 1 1 d . . . . .
H31A H 0.3000 0.7258 0.3891 0.065 Uiso 1 1 calc GR . . . .
H31B H 0.3256 0.7630 0.2720 0.065 Uiso 1 1 calc GR . . . .
H31C H 0.4109 0.7695 0.4149 0.065 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 C1 1.357(2) . ?
O1 C18 1.405(2) . ?
O1 C22 1.387(2) . ?
O2 C22 1.202(3) . ?
N1 C14 1.147(2) . ?
C19 C20 1.374(3) . ?
C19 C18 1.375(3) . ?
C19 C21 1.497(3) . ?
C5 H5 0.9300 . ?
C5 C4 1.388(3) . ?
C5 C6 1.380(3) . ?
C15 C20 1.393(3) . ?
C15 C16 1.397(3) . ?
C15 C7 1.530(3) . ?
C14 C8 1.481(3) . ?
C20 H20 0.9300 . ?
C4 C7 1.522(3) . ?
C4 C3 1.393(3) . ?
C17 C16 1.397(3) . ?
C17 C18 1.392(3) . ?
C17 C28 1.530(3) . ?
C16 H16 0.9300 . ?
C7 H7 0.9800 . ?
C7 C8 1.567(3) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C13 C8 1.538(3) . ?
C13 C12 1.523(3) . ?
C8 C9 1.542(3) . ?
C6 H6 0.9300 . ?
C6 C1 1.361(3) . ?
C21 C22 1.520(3) . ?
C21 C27 1.543(3) . ?
C21 C23 1.534(3) . ?
C3 H3 0.9300 . ?
C3 C2 1.379(3) . ?
C1 C2 1.367(3) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C9 C10 1.521(3) . ?
C28 C29 1.533(3) . ?
C28 C30 1.528(3) . ?
C28 C31 1.529(3) . ?
C2 H2 0.9300 . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C10 C11 1.522(3) . ?
C27 H27A 0.9700 . ?
C27 H27B 0.9700 . ?
C27 C26 1.524(3) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C12 C11 1.526(3) . ?
C26 H26A 0.9700 . ?
C26 H26B 0.9700 . ?
C26 C25 1.521(3) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C23 C24 1.528(3) . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
C24 C25 1.517(3) . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 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
C22 O1 C18 107.61(17) . . ?
C20 C19 C18 120.2(2) . . ?
C20 C19 C21 130.10(19) . . ?
C18 C19 C21 109.68(19) . . ?
C4 C5 H5 119.0 . . ?
C6 C5 H5 119.0 . . ?
C6 C5 C4 122.0(2) . . ?
C20 C15 C16 117.9(2) . . ?
C20 C15 C7 121.28(18) . . ?
C16 C15 C7 120.76(18) . . ?
N1 C14 C8 178.2(2) . . ?
C19 C20 C15 119.50(19) . . ?
C19 C20 H20 120.2 . . ?
C15 C20 H20 120.2 . . ?
C5 C4 C7 123.57(18) . . ?
C5 C4 C3 117.1(2) . . ?
C3 C4 C7 119.35(18) . . ?
C16 C17 C28 123.89(19) . . ?
C18 C17 C16 113.58(19) . . ?
C18 C17 C28 122.5(2) . . ?
C15 C16 C17 124.65(19) . . ?
C15 C16 H16 117.7 . . ?
C17 C16 H16 117.7 . . ?
C19 C18 O1 110.97(18) . . ?
C19 C18 C17 124.0(2) . . ?
C17 C18 O1 125.00(19) . . ?
C15 C7 H7 105.7 . . ?
C15 C7 C8 112.68(17) . . ?
C4 C7 C15 111.77(17) . . ?
C4 C7 H7 105.7 . . ?
C4 C7 C8 114.35(16) . . ?
C8 C7 H7 105.7 . . ?
H13A C13 H13B 107.8 . . ?
C8 C13 H13A 109.0 . . ?
C8 C13 H13B 109.0 . . ?
C12 C13 H13A 109.0 . . ?
C12 C13 H13B 109.0 . . ?
C12 C13 C8 112.73(17) . . ?
C14 C8 C7 109.84(17) . . ?
C14 C8 C13 107.68(16) . . ?
C14 C8 C9 109.27(16) . . ?
C13 C8 C7 110.60(16) . . ?
C13 C8 C9 108.45(17) . . ?
C9 C8 C7 110.91(17) . . ?
C5 C6 H6 120.8 . . ?
C1 C6 C5 118.3(2) . . ?
C1 C6 H6 120.8 . . ?
C19 C21 C22 100.38(17) . . ?
C19 C21 C27 110.04(17) . . ?
C19 C21 C23 113.51(18) . . ?
C22 C21 C27 108.91(18) . . ?
C22 C21 C23 112.94(18) . . ?
C23 C21 C27 110.59(17) . . ?
C4 C3 H3 119.1 . . ?
C2 C3 C4 121.8(2) . . ?
C2 C3 H3 119.1 . . ?
O1 C22 C21 110.24(18) . . ?
O2 C22 O1 119.7(2) . . ?
O2 C22 C21 130.0(2) . . ?
F1 C1 C6 118.23(19) . . ?
F1 C1 C2 119.21(19) . . ?
C6 C1 C2 122.6(2) . . ?
C8 C9 H9A 108.9 . . ?
C8 C9 H9B 108.9 . . ?
H9A C9 H9B 107.7 . . ?
C10 C9 C8 113.34(18) . . ?
C10 C9 H9A 108.9 . . ?
C10 C9 H9B 108.9 . . ?
C17 C28 C29 108.99(18) . . ?
C30 C28 C17 111.94(19) . . ?
C30 C28 C29 108.24(18) . . ?
C30 C28 C31 108.2(2) . . ?
C31 C28 C17 109.54(18) . . ?
C31 C28 C29 109.9(2) . . ?
C3 C2 H2 120.9 . . ?
C1 C2 C3 118.3(2) . . ?
C1 C2 H2 120.9 . . ?
C9 C10 H10A 109.3 . . ?
C9 C10 H10B 109.3 . . ?
C9 C10 C11 111.40(18) . . ?
H10A C10 H10B 108.0 . . ?
C11 C10 H10A 109.3 . . ?
C11 C10 H10B 109.3 . . ?
C21 C27 H27A 108.9 . . ?
C21 C27 H27B 108.9 . . ?
H27A C27 H27B 107.7 . . ?
C26 C27 C21 113.27(18) . . ?
C26 C27 H27A 108.9 . . ?
C26 C27 H27B 108.9 . . ?
C13 C12 H12A 109.3 . . ?
C13 C12 H12B 109.3 . . ?
C13 C12 C11 111.46(19) . . ?
H12A C12 H12B 108.0 . . ?
C11 C12 H12A 109.3 . . ?
C11 C12 H12B 109.3 . . ?
C27 C26 H26A 109.4 . . ?
C27 C26 H26B 109.4 . . ?
H26A C26 H26B 108.0 . . ?
C25 C26 C27 111.1(2) . . ?
C25 C26 H26A 109.4 . . ?
C25 C26 H26B 109.4 . . ?
C10 C11 C12 110.74(19) . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
C12 C11 H11A 109.5 . . ?
C12 C11 H11B 109.5 . . ?
H11A C11 H11B 108.1 . . ?
C21 C23 H23A 108.9 . . ?
C21 C23 H23B 108.9 . . ?
H23A C23 H23B 107.7 . . ?
C24 C23 C21 113.53(19) . . ?
C24 C23 H23A 108.9 . . ?
C24 C23 H23B 108.9 . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C23 C24 H24A 109.2 . . ?
C23 C24 H24B 109.2 . . ?
H24A C24 H24B 107.9 . . ?
C25 C24 C23 111.84(19) . . ?
C25 C24 H24A 109.2 . . ?
C25 C24 H24B 109.2 . . ?
C26 C25 H25A 109.5 . . ?
C26 C25 H25B 109.5 . . ?
C24 C25 C26 110.55(19) . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
H25A C25 H25B 108.1 . . ?
C28 C30 H30A 109.5 . . ?
C28 C30 H30B 109.5 . . ?
C28 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C28 C31 H31A 109.5 . . ?
C28 C31 H31B 109.5 . . ?
C28 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_a
_database_code_depnum_ccdc_archive 'CCDC 1888061'
loop_
_audit_author_name
_audit_author_address
TS
;Jishou University
China
;
_audit_update_record             
;
2018-12-29 deposited with the CCDC.	2019-03-18 downloaded from the CCDC.
;
_audit_creation_date             2018-06-30
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C25 H29 N O2'
_chemical_formula_sum            'C25 H29 N O2'
_chemical_formula_weight         375.49
_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 0.0033 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'
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'

_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/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   12.3455(8)
_cell_length_b                   10.3283(7)
_cell_length_c                   16.3127(10)
_cell_angle_alpha                90
_cell_angle_beta                 95.923(2)
_cell_angle_gamma                90
_cell_volume                     2068.9(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    6255
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      27.47
_cell_measurement_theta_min      2.34
_shelx_estimated_absorpt_T_max   0.985
_shelx_estimated_absorpt_T_min   0.985
_exptl_absorpt_coefficient_mu    0.075
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6378
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2014/5 (Bruker,2014/5) was used for absorption correction. wR2(int) was 0.1229 before and 0.0661 after correction. The Ratio of minimum to maximum transmission is 0.8554. The λ/2 correction factor is 0.00150.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.206
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             808
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0504
_diffrn_reflns_av_unetI/netI     0.0570
_diffrn_reflns_Laue_measured_fraction_full 0.983
_diffrn_reflns_Laue_measured_fraction_max 0.982
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            16387
_diffrn_reflns_point_group_measured_fraction_full 0.983
_diffrn_reflns_point_group_measured_fraction_max 0.982
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.535
_diffrn_reflns_theta_min         2.511
_diffrn_ambient_temperature      153.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3453
_reflns_number_total             4680
_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 v8.34A (Bruker, 2013)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_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         0.307
_refine_diff_density_min         -0.214
_refine_diff_density_rms         0.046
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     260
_refine_ls_number_reflns         4680
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0750
_refine_ls_R_factor_gt           0.0516
_refine_ls_restrained_S_all      1.050
_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)+(0.0481P)²+0.7599P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1184
_refine_ls_wR_factor_ref         0.1286
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C7(H7)
2.b Aromatic/amide H refined with riding coordinates:
 C13(H13), C17(H17), C5(H5), C3(H3), C6(H6), C1(H1), C2(H2)
2.c Idealised Me refined as rotating group:
 C10(H10A,H10B,H10C), C24(H24A,H24B,H24C), C11(H11A,H11B,H11C), C20(H20A,H20B,
 H20C), C21(H21A,H21B,H21C), C25(H25A,H25B,H25C), C23(H23A,H23B,H23C)
;
_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
O1 O 0.85723(9) 0.71532(11) 0.38177(7) 0.0250(3) Uani 1 1 d . . . . .
O2 O 0.89545(10) 0.92426(12) 0.36310(7) 0.0323(3) Uani 1 1 d . . . . .
C12 C 0.72856(12) 0.53961(15) 0.57777(9) 0.0185(3) Uani 1 1 d . . . . .
C4 C 0.78825(12) 0.42006(15) 0.70839(9) 0.0191(3) Uani 1 1 d . . . . .
C14 C 0.77431(12) 0.72506(15) 0.50114(10) 0.0206(3) Uani 1 1 d . . . . .
C13 C 0.73224(12) 0.67341(15) 0.56935(9) 0.0201(3) Uani 1 1 d . . . . .
H13 H 0.7069 0.7272 0.6089 0.024 Uiso 1 1 calc R . . . .
C17 C 0.76463(12) 0.46217(16) 0.51606(9) 0.0196(3) Uani 1 1 d . . . . .
H17 H 0.7602 0.3728 0.5219 0.023 Uiso 1 1 calc R . . . .
C16 C 0.80703(12) 0.51030(15) 0.44607(9) 0.0189(3) Uani 1 1 d . . . . .
C7 C 0.69240(12) 0.48242(15) 0.65704(9) 0.0174(3) Uani 1 1 d . . . . .
H7 H 0.6737 0.5577 0.6893 0.021 Uiso 1 1 calc R . . . .
N1 N 0.59396(14) 0.20791(16) 0.54225(11) 0.0402(4) Uani 1 1 d . . . . .
C15 C 0.81120(12) 0.64453(16) 0.44304(9) 0.0196(3) Uani 1 1 d . . . . .
C5 C 0.83733(13) 0.30547(16) 0.68686(10) 0.0239(4) Uani 1 1 d . . . . .
H5 H 0.8075 0.2592 0.6411 0.029 Uiso 1 1 calc R . . . .
C3 C 0.83373(13) 0.48429(17) 0.77854(10) 0.0237(4) Uani 1 1 d . . . . .
H3 H 0.8014 0.5602 0.7948 0.028 Uiso 1 1 calc R . . . .
C19 C 0.85392(13) 0.84516(17) 0.40213(10) 0.0239(4) Uani 1 1 d . . . . .
C8 C 0.58575(12) 0.39992(16) 0.64575(10) 0.0212(3) Uani 1 1 d . . . . .
C22 C 0.84866(13) 0.42294(16) 0.38032(10) 0.0222(3) Uani 1 1 d . . . . .
C18 C 0.79037(13) 0.86333(16) 0.47664(9) 0.0219(3) Uani 1 1 d . . . . .
C6 C 0.93012(14) 0.25940(17) 0.73281(11) 0.0282(4) Uani 1 1 d . . . . .
H6 H 0.9625 0.1832 0.7173 0.034 Uiso 1 1 calc R . . . .
C9 C 0.59304(13) 0.29165(17) 0.58735(10) 0.0260(4) Uani 1 1 d . . . . .
C10 C 0.49053(13) 0.48699(17) 0.61231(11) 0.0275(4) Uani 1 1 d . . . . .
H10A H 0.4744 0.5471 0.6543 0.041 Uiso 1 1 calc GR . . . .
H10B H 0.4276 0.4345 0.5966 0.041 Uiso 1 1 calc GR . . . .
H10C H 0.5101 0.5338 0.5652 0.041 Uiso 1 1 calc GR . . . .
C24 C 0.97207(13) 0.44210(18) 0.38128(11) 0.0300(4) Uani 1 1 d . . . . .
H24A H 0.9871 0.5308 0.3691 0.045 Uiso 1 1 calc GR . . . .
H24B H 0.9992 0.3871 0.3406 0.045 Uiso 1 1 calc GR . . . .
H24C H 1.0071 0.4204 0.4348 0.045 Uiso 1 1 calc GR . . . .
C1 C 0.97451(14) 0.32630(18) 0.80144(11) 0.0315(4) Uani 1 1 d . . . . .
H1 H 1.0372 0.2957 0.8318 0.038 Uiso 1 1 calc R . . . .
C11 C 0.56049(14) 0.34213(18) 0.72851(10) 0.0301(4) Uani 1 1 d . . . . .
H11A H 0.6174 0.2832 0.7483 0.045 Uiso 1 1 calc GR . . . .
H11B H 0.4924 0.2966 0.7211 0.045 Uiso 1 1 calc GR . . . .
H11C H 0.5559 0.4105 0.7679 0.045 Uiso 1 1 calc GR . . . .
C20 C 0.68213(14) 0.92842(17) 0.44644(12) 0.0313(4) Uani 1 1 d . . . . .
H20A H 0.6437 0.8760 0.4044 0.047 Uiso 1 1 calc GR . . . .
H20B H 0.6960 1.0122 0.4243 0.047 Uiso 1 1 calc GR . . . .
H20C H 0.6388 0.9378 0.4917 0.047 Uiso 1 1 calc GR . . . .
C2 C 0.92587(14) 0.43813(18) 0.82479(11) 0.0299(4) Uani 1 1 d . . . . .
H2 H 0.9548 0.4827 0.8716 0.036 Uiso 1 1 calc R . . . .
C21 C 0.85592(16) 0.94474(18) 0.54216(11) 0.0344(4) Uani 1 1 d . . . . .
H21A H 0.8147 0.9563 0.5884 0.052 Uiso 1 1 calc GR . . . .
H21B H 0.8712 1.0277 0.5195 0.052 Uiso 1 1 calc GR . . . .
H21C H 0.9231 0.9014 0.5599 0.052 Uiso 1 1 calc GR . . . .
C25 C 0.79286(16) 0.4576(2) 0.29526(11) 0.0399(5) Uani 1 1 d . . . . .
H25A H 0.7157 0.4452 0.2946 0.060 Uiso 1 1 calc GR . . . .
H25B H 0.8202 0.4029 0.2545 0.060 Uiso 1 1 calc GR . . . .
H25C H 0.8076 0.5465 0.2832 0.060 Uiso 1 1 calc GR . . . .
C23 C 0.82754(19) 0.28115(18) 0.39747(13) 0.0424(5) Uani 1 1 d . . . . .
H23A H 0.8652 0.2574 0.4497 0.064 Uiso 1 1 calc GR . . . .
H23B H 0.8533 0.2288 0.3549 0.064 Uiso 1 1 calc GR . . . .
H23C H 0.7508 0.2676 0.3987 0.064 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
O1 C15 1.4049(17) . ?
O1 C19 1.383(2) . ?
O2 C19 1.1845(19) . ?
C12 C13 1.390(2) . ?
C12 C17 1.394(2) . ?
C12 C7 1.530(2) . ?
C4 C7 1.521(2) . ?
C4 C5 1.391(2) . ?
C4 C3 1.390(2) . ?
C14 C13 1.383(2) . ?
C14 C15 1.374(2) . ?
C14 C18 1.502(2) . ?
C13 H13 0.9300 . ?
C17 H17 0.9300 . ?
C17 C16 1.396(2) . ?
C16 C15 1.388(2) . ?
C16 C22 1.531(2) . ?
C7 H7 0.9800 . ?
C7 C8 1.563(2) . ?
N1 C9 1.136(2) . ?
C5 H5 0.9300 . ?
C5 C6 1.387(2) . ?
C3 H3 0.9300 . ?
C3 C2 1.383(2) . ?
C19 C18 1.525(2) . ?
C8 C9 1.478(2) . ?
C8 C10 1.535(2) . ?
C8 C11 1.537(2) . ?
C22 C24 1.535(2) . ?
C22 C25 1.527(2) . ?
C22 C23 1.518(2) . ?
C18 C20 1.531(2) . ?
C18 C21 1.525(2) . ?
C6 H6 0.9300 . ?
C6 C1 1.380(3) . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C1 H1 0.9300 . ?
C1 C2 1.374(3) . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C2 H2 0.9300 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 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
C19 O1 C15 108.03(12) . . ?
C13 C12 C17 118.87(14) . . ?
C13 C12 C7 118.87(13) . . ?
C17 C12 C7 122.12(14) . . ?
C5 C4 C7 123.76(14) . . ?
C3 C4 C7 118.46(14) . . ?
C3 C4 C5 117.68(15) . . ?
C13 C14 C18 130.69(15) . . ?
C15 C14 C13 120.03(15) . . ?
C15 C14 C18 109.27(13) . . ?
C12 C13 H13 120.6 . . ?
C14 C13 C12 118.81(14) . . ?
C14 C13 H13 120.6 . . ?
C12 C17 H17 117.9 . . ?
C12 C17 C16 124.12(15) . . ?
C16 C17 H17 117.9 . . ?
C17 C16 C22 123.00(14) . . ?
C15 C16 C17 113.78(13) . . ?
C15 C16 C22 123.19(13) . . ?
C12 C7 H7 104.7 . . ?
C12 C7 C8 115.25(12) . . ?
C4 C7 C12 110.54(11) . . ?
C4 C7 H7 104.7 . . ?
C4 C7 C8 115.61(12) . . ?
C8 C7 H7 104.7 . . ?
C14 C15 O1 111.28(14) . . ?
C14 C15 C16 124.33(13) . . ?
C16 C15 O1 124.35(13) . . ?
C4 C5 H5 119.6 . . ?
C6 C5 C4 120.83(16) . . ?
C6 C5 H5 119.6 . . ?
C4 C3 H3 119.2 . . ?
C2 C3 C4 121.61(16) . . ?
C2 C3 H3 119.2 . . ?
O1 C19 C18 109.95(13) . . ?
O2 C19 O1 120.96(14) . . ?
O2 C19 C18 129.08(16) . . ?
C9 C8 C7 112.45(12) . . ?
C9 C8 C10 108.04(14) . . ?
C9 C8 C11 107.68(14) . . ?
C10 C8 C7 109.11(13) . . ?
C10 C8 C11 108.80(13) . . ?
C11 C8 C7 110.66(13) . . ?
C16 C22 C24 108.76(13) . . ?
C25 C22 C16 110.24(14) . . ?
C25 C22 C24 109.48(14) . . ?
C23 C22 C16 111.28(13) . . ?
C23 C22 C24 108.15(15) . . ?
C23 C22 C25 108.88(16) . . ?
C14 C18 C19 100.83(13) . . ?
C14 C18 C20 111.61(14) . . ?
C14 C18 C21 114.39(14) . . ?
C19 C18 C20 107.54(13) . . ?
C19 C18 C21 110.31(13) . . ?
C21 C18 C20 111.46(15) . . ?
C5 C6 H6 119.9 . . ?
C1 C6 C5 120.23(17) . . ?
C1 C6 H6 119.9 . . ?
N1 C9 C8 177.08(18) . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C6 C1 H1 120.1 . . ?
C2 C1 C6 119.84(16) . . ?
C2 C1 H1 120.1 . . ?
C8 C11 H11A 109.5 . . ?
C8 C11 H11B 109.5 . . ?
C8 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C18 C20 H20A 109.5 . . ?
C18 C20 H20B 109.5 . . ?
C18 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C3 C2 H2 120.1 . . ?
C1 C2 C3 119.80(17) . . ?
C1 C2 H2 120.1 . . ?
C18 C21 H21A 109.5 . . ?
C18 C21 H21B 109.5 . . ?
C18 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C22 C25 H25A 109.5 . . ?
C22 C25 H25B 109.5 . . ?
C22 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
