# 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_A
_database_code_depnum_ccdc_archive 'CCDC 1963875'
loop_
_audit_author_name
_audit_author_address
'Wu Yan-Chen' 'NanChangHangKong University'
_audit_update_record             
;
2019-11-05 deposited with the CCDC.	2020-02-27 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         C24H31NO
_chemical_formula_sum            'C24 H31 N O'
_chemical_formula_weight         349.50

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'
O O 0.0106 0.0060 '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'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'

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

_cell_length_a                   5.9119(18)
_cell_length_b                   15.078(5)
_cell_length_c                   23.745(7)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2116.6(11)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    6450
_cell_measurement_theta_min      2.70
_cell_measurement_theta_max      26.86

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.097
_exptl_crystal_F_000             760
_exptl_transmission_factor_min   0.6321
_exptl_transmission_factor_max   0.9897
_exptl_crystal_size_max          0.130
_exptl_crystal_size_mid          0.110
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    0.066
_shelx_estimated_absorpt_T_min   0.992
_shelx_estimated_absorpt_T_max   0.993
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(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            16340
_diffrn_reflns_av_unetI/netI     0.0269
_diffrn_reflns_av_R_equivalents  0.0352
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         2.183
_diffrn_reflns_theta_max         25.496
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             3936
_reflns_number_gt                3489
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.717
_reflns_Friedel_fraction_max     1.000
_reflns_Friedel_fraction_full    1.000

_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-2014/7 (Sheldrick, 2014)'
_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)+(0.0733P)²+0.3994P] 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-2014/7 (Sheldrick 2014'
_refine_ls_extinction_coef       0.025(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_abs_structure_details 
; 
 Flack x determined using 1302 quotients [(I+)-(I-)]/[(I+)+(I-)] 
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). 
;
_refine_ls_abs_structure_Flack   1.3(7)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         3936
_refine_ls_number_parameters     244
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0502
_refine_ls_R_factor_gt           0.0435
_refine_ls_wR_factor_ref         0.1260
_refine_ls_wR_factor_gt          0.1197
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_restrained_S_all      1.014
_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
O1 O 0.5169(4) -0.17534(12) 0.25695(9) 0.0586(6) Uani 1 1 d . . . . .
N1 N 0.4772(4) -0.02428(13) 0.25121(9) 0.0399(5) Uani 1 1 d . . . . .
C6 C 0.6254(4) 0.00052(16) 0.29623(10) 0.0388(6) Uani 1 1 d . . . . .
C4 C 0.9275(5) 0.08896(18) 0.33268(11) 0.0486(7) Uani 1 1 d . . . . .
H4 H 1.0397 0.1311 0.3264 0.058 Uiso 1 1 calc R U . . .
C5 C 0.7933(5) 0.06211(18) 0.28805(11) 0.0461(6) Uani 1 1 d . . . . .
H5 H 0.8169 0.0859 0.2524 0.055 Uiso 1 1 calc R U . . .
C3 C 0.8994(5) 0.05476(17) 0.38649(11) 0.0450(6) Uani 1 1 d . . . . .
C7 C 1.0329(6) 0.0884(2) 0.43740(12) 0.0572(8) Uani 1 1 d . . . . .
C1 C 0.5973(5) -0.03679(19) 0.34872(11) 0.0507(7) Uani 1 1 d . . . . .
H1 H 0.4866 -0.0796 0.3546 0.061 Uiso 1 1 calc R U . . .
C8 C 1.1442(7) 0.0105(3) 0.46816(14) 0.0706(10) Uani 1 1 d . . . . .
H8A H 1.0298 -0.0305 0.4802 0.106 Uiso 1 1 calc R U . . .
H8B H 1.2253 0.0322 0.5004 0.106 Uiso 1 1 calc R U . . .
H8C H 1.2473 -0.0190 0.4432 0.106 Uiso 1 1 calc R U . . .
C2 C 0.7350(6) -0.0100(2) 0.39266(11) 0.0547(8) Uani 1 1 d . . . . .
H2 H 0.7165 -0.0366 0.4277 0.066 Uiso 1 1 calc R U . . .
C9 C 0.8674(8) 0.1342(3) 0.47745(16) 0.0921(14) Uani 1 1 d . . . . .
H9A H 0.7934 0.1820 0.4581 0.138 Uiso 1 1 calc R U . . .
H9B H 0.9485 0.1571 0.5093 0.138 Uiso 1 1 calc R U . . .
H9C H 0.7565 0.0921 0.4901 0.138 Uiso 1 1 calc R U . . .
C10 C 1.2195(7) 0.1540(2) 0.42075(16) 0.0810(12) Uani 1 1 d . . . . .
H10A H 1.3176 0.1269 0.3935 0.121 Uiso 1 1 calc R U . . .
H10B H 1.3053 0.1700 0.4535 0.121 Uiso 1 1 calc R U . . .
H10C H 1.1523 0.2062 0.4048 0.121 Uiso 1 1 calc R U . . .
C14 C 0.3530(4) 0.03566(15) 0.21735(9) 0.0359(5) Uani 1 1 d . . . . .
C13 C 0.2259(4) -0.01121(15) 0.17841(10) 0.0374(6) Uani 1 1 d . . . . .
C11 C 0.4341(5) -0.11004(16) 0.23563(11) 0.0422(6) Uani 1 1 d . . . . .
C12 C 0.2629(5) -0.10959(16) 0.18722(10) 0.0415(6) Uani 1 1 d . . . . .
C15 C 0.0473(6) -0.1564(2) 0.20695(16) 0.0632(8) Uani 1 1 d . . . . .
H15A H -0.0122 -0.1263 0.2394 0.095 Uiso 1 1 calc R U . . .
H15B H 0.0817 -0.2167 0.2166 0.095 Uiso 1 1 calc R U . . .
H15C H -0.0628 -0.1554 0.1772 0.095 Uiso 1 1 calc R U . . .
C16 C 0.3667(7) -0.1553(2) 0.13605(13) 0.0684(9) Uani 1 1 d . . . . .
H16A H 0.2630 -0.1522 0.1050 0.103 Uiso 1 1 calc R U . . .
H16B H 0.3969 -0.2163 0.1449 0.103 Uiso 1 1 calc R U . . .
H16C H 0.5053 -0.1262 0.1261 0.103 Uiso 1 1 calc R U . . .
C17 C 0.3424(5) 0.12696(16) 0.21965(10) 0.0407(6) Uani 1 1 d . . . . .
H17 H 0.4268 0.1588 0.2458 0.049 Uiso 1 1 calc R U . . .
C19 C 0.0730(5) 0.12500(16) 0.14183(10) 0.0392(6) Uani 1 1 d . . . . .
C20 C 0.0873(5) 0.03259(17) 0.14110(10) 0.0400(6) Uani 1 1 d . . . . .
H20 H 0.0025 0.0004 0.1152 0.048 Uiso 1 1 calc R U . . .
C18 C 0.2018(5) 0.16960(16) 0.18170(10) 0.0411(6) Uani 1 1 d . . . . .
H18 H 0.1931 0.2312 0.1830 0.049 Uiso 1 1 calc R U . . .
C21 C -0.0694(5) 0.17578(18) 0.09861(10) 0.0448(6) Uani 1 1 d . . . . .
C23 C -0.1832(9) 0.2562(3) 0.12433(19) 0.1011(16) Uani 1 1 d . . . . .
H23A H -0.0703 0.2989 0.1349 0.152 Uiso 1 1 calc R U . . .
H23B H -0.2672 0.2385 0.1571 0.152 Uiso 1 1 calc R U . . .
H23C H -0.2841 0.2822 0.0973 0.152 Uiso 1 1 calc R U . . .
C24 C 0.0784(9) 0.2037(5) 0.05150(19) 0.134(3) Uani 1 1 d . . . . .
H24A H -0.0076 0.2385 0.0253 0.201 Uiso 1 1 calc R U . . .
H24B H 0.1370 0.1521 0.0328 0.201 Uiso 1 1 calc R U . . .
H24C H 0.2015 0.2384 0.0659 0.201 Uiso 1 1 calc R U . . .
C22 C -0.2624(9) 0.1189(3) 0.0754(2) 0.1140(19) Uani 1 1 d . . . . .
H22A H -0.3554 0.1542 0.0510 0.171 Uiso 1 1 calc R U . . .
H22B H -0.3522 0.0969 0.1061 0.171 Uiso 1 1 calc R U . . .
H22C H -0.2009 0.0699 0.0547 0.171 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
O1 C11 1.211(3) . ?
N1 C11 1.369(3) . ?
N1 C14 1.415(3) . ?
N1 C6 1.432(3) . ?
C6 C5 1.373(4) . ?
C6 C1 1.377(4) . ?
C4 C5 1.385(4) . ?
C4 C3 1.388(4) . ?
C4 H4 0.9300 . ?
C5 H5 0.9300 . ?
C3 C2 1.386(4) . ?
C3 C7 1.530(4) . ?
C7 C9 1.529(5) . ?
C7 C8 1.531(4) . ?
C7 C10 1.534(5) . ?
C1 C2 1.384(4) . ?
C1 H1 0.9300 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C2 H2 0.9300 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C14 C17 1.379(3) . ?
C14 C13 1.385(3) . ?
C13 C20 1.375(3) . ?
C13 C12 1.514(3) . ?
C11 C12 1.531(4) . ?
C12 C16 1.526(4) . ?
C12 C15 1.530(4) . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 C18 1.384(3) . ?
C17 H17 0.9300 . ?
C19 C18 1.389(4) . ?
C19 C20 1.396(4) . ?
C19 C21 1.532(3) . ?
C20 H20 0.9300 . ?
C18 H18 0.9300 . ?
C21 C24 1.480(5) . ?
C21 C23 1.515(5) . ?
C21 C22 1.530(5) . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C22 H22A 0.9600 . ?
C22 H22B 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
C11 N1 C14 110.7(2) . . ?
C11 N1 C6 124.2(2) . . ?
C14 N1 C6 125.10(19) . . ?
C5 C6 C1 119.4(2) . . ?
C5 C6 N1 120.9(2) . . ?
C1 C6 N1 119.7(2) . . ?
C5 C4 C3 121.8(3) . . ?
C5 C4 H4 119.1 . . ?
C3 C4 H4 119.1 . . ?
C6 C5 C4 120.3(2) . . ?
C6 C5 H5 119.9 . . ?
C4 C5 H5 119.9 . . ?
C2 C3 C4 116.3(2) . . ?
C2 C3 C7 120.8(3) . . ?
C4 C3 C7 122.8(3) . . ?
C9 C7 C8 108.9(3) . . ?
C9 C7 C3 108.1(3) . . ?
C8 C7 C3 110.2(3) . . ?
C9 C7 C10 109.2(3) . . ?
C8 C7 C10 108.0(3) . . ?
C3 C7 C10 112.4(3) . . ?
C6 C1 C2 119.5(3) . . ?
C6 C1 H1 120.3 . . ?
C2 C1 H1 120.3 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C1 C2 C3 122.6(2) . . ?
C1 C2 H2 118.7 . . ?
C3 C2 H2 118.7 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C7 C10 H10A 109.5 . . ?
C7 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C7 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C17 C14 C13 120.7(2) . . ?
C17 C14 N1 129.7(2) . . ?
C13 C14 N1 109.6(2) . . ?
C20 C13 C14 120.5(2) . . ?
C20 C13 C12 130.2(2) . . ?
C14 C13 C12 109.2(2) . . ?
O1 C11 N1 125.4(2) . . ?
O1 C11 C12 125.8(2) . . ?
N1 C11 C12 108.8(2) . . ?
C13 C12 C16 113.0(2) . . ?
C13 C12 C15 111.9(2) . . ?
C16 C12 C15 111.7(3) . . ?
C13 C12 C11 101.76(19) . . ?
C16 C12 C11 109.3(2) . . ?
C15 C12 C11 108.6(2) . . ?
C12 C15 H15A 109.5 . . ?
C12 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C12 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C12 C16 H16A 109.5 . . ?
C12 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C12 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C14 C17 C18 117.7(2) . . ?
C14 C17 H17 121.1 . . ?
C18 C17 H17 121.1 . . ?
C18 C19 C20 117.3(2) . . ?
C18 C19 C21 121.0(2) . . ?
C20 C19 C21 121.6(2) . . ?
C13 C20 C19 120.5(2) . . ?
C13 C20 H20 119.8 . . ?
C19 C20 H20 119.8 . . ?
C17 C18 C19 123.2(2) . . ?
C17 C18 H18 118.4 . . ?
C19 C18 H18 118.4 . . ?
C24 C21 C23 109.8(4) . . ?
C24 C21 C22 109.1(4) . . ?
C23 C21 C22 105.2(3) . . ?
C24 C21 C19 108.9(3) . . ?
C23 C21 C19 112.0(2) . . ?
C22 C21 C19 111.7(2) . . ?
C21 C23 H23A 109.5 . . ?
C21 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C21 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C21 C24 H24A 109.5 . . ?
C21 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C21 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B 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
C11 N1 C6 C5 129.0(3) . . . . ?
C14 N1 C6 C5 -52.0(4) . . . . ?
C11 N1 C6 C1 -52.0(4) . . . . ?
C14 N1 C6 C1 127.0(3) . . . . ?
C1 C6 C5 C4 -2.5(4) . . . . ?
N1 C6 C5 C4 176.5(2) . . . . ?
C3 C4 C5 C6 0.5(4) . . . . ?
C5 C4 C3 C2 2.2(4) . . . . ?
C5 C4 C3 C7 -175.2(3) . . . . ?
C2 C3 C7 C9 -64.2(4) . . . . ?
C4 C3 C7 C9 113.1(4) . . . . ?
C2 C3 C7 C8 54.7(4) . . . . ?
C4 C3 C7 C8 -128.0(3) . . . . ?
C2 C3 C7 C10 175.2(3) . . . . ?
C4 C3 C7 C10 -7.5(4) . . . . ?
C5 C6 C1 C2 1.6(4) . . . . ?
N1 C6 C1 C2 -177.4(3) . . . . ?
C6 C1 C2 C3 1.3(5) . . . . ?
C4 C3 C2 C1 -3.2(4) . . . . ?
C7 C3 C2 C1 174.3(3) . . . . ?
C11 N1 C14 C17 178.2(3) . . . . ?
C6 N1 C14 C17 -0.9(4) . . . . ?
C11 N1 C14 C13 -0.3(3) . . . . ?
C6 N1 C14 C13 -179.4(2) . . . . ?
C17 C14 C13 C20 0.3(4) . . . . ?
N1 C14 C13 C20 179.0(2) . . . . ?
C17 C14 C13 C12 -177.5(2) . . . . ?
N1 C14 C13 C12 1.2(3) . . . . ?
C14 N1 C11 O1 179.7(3) . . . . ?
C6 N1 C11 O1 -1.2(4) . . . . ?
C14 N1 C11 C12 -0.7(3) . . . . ?
C6 N1 C11 C12 178.4(2) . . . . ?
C20 C13 C12 C16 63.9(4) . . . . ?
C14 C13 C12 C16 -118.6(3) . . . . ?
C20 C13 C12 C15 -63.3(4) . . . . ?
C14 C13 C12 C15 114.2(3) . . . . ?
C20 C13 C12 C11 -179.0(3) . . . . ?
C14 C13 C12 C11 -1.5(3) . . . . ?
O1 C11 C12 C13 -179.1(3) . . . . ?
N1 C11 C12 C13 1.3(3) . . . . ?
O1 C11 C12 C16 -59.3(4) . . . . ?
N1 C11 C12 C16 121.1(3) . . . . ?
O1 C11 C12 C15 62.8(3) . . . . ?
N1 C11 C12 C15 -116.8(2) . . . . ?
C13 C14 C17 C18 -0.3(4) . . . . ?
N1 C14 C17 C18 -178.6(2) . . . . ?
C14 C13 C20 C19 0.1(4) . . . . ?
C12 C13 C20 C19 177.4(3) . . . . ?
C18 C19 C20 C13 -0.6(4) . . . . ?
C21 C19 C20 C13 176.5(2) . . . . ?
C14 C17 C18 C19 -0.2(4) . . . . ?
C20 C19 C18 C17 0.6(4) . . . . ?
C21 C19 C18 C17 -176.4(2) . . . . ?
C18 C19 C21 C24 82.0(4) . . . . ?
C20 C19 C21 C24 -94.9(4) . . . . ?
C18 C19 C21 C23 -39.6(4) . . . . ?
C20 C19 C21 C23 143.5(3) . . . . ?
C18 C19 C21 C22 -157.4(3) . . . . ?
C20 C19 C21 C22 25.7(4) . . . . ?

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
C17 H17 O1 0.93 2.52 3.144(3) 124.4 3_655
C17 H17 O1 0.93 2.52 3.144(3) 124.4 3_655

_refine_diff_density_max         0.332
_refine_diff_density_min         -0.187
_refine_diff_density_rms         0.031

