# 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_A
_database_code_depnum_ccdc_archive 'CCDC 2013160'
loop_
_audit_author_name
_audit_author_address
'xu zhang'
;Hunan Normal University
China
;
_audit_update_record             
;
2020-06-30 deposited with the CCDC.	2021-03-31 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         C27H25NO
_chemical_formula_sum            'C27 H25 N O'
_chemical_formula_weight         379.48

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'

_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                   14.865(5)
_cell_length_b                   14.925(5)
_cell_length_c                   10.074(4)
_cell_angle_alpha                90
_cell_angle_beta                 109.544(5)
_cell_angle_gamma                90
_cell_volume                     2106.2(13)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    2234
_cell_measurement_theta_min      2.54
_cell_measurement_theta_max      22.03

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.197
_exptl_crystal_F_000             808
_exptl_transmission_factor_min   0.5855
_exptl_transmission_factor_max   0.7456
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.14
_exptl_absorpt_coefficient_mu    0.072
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_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      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            15966
_diffrn_reflns_av_unetI/netI     0.0725
_diffrn_reflns_av_R_equivalents  0.1148
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         2.543
_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             3915
_reflns_number_gt                2094
_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-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)] 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     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         3915
_refine_ls_number_parameters     253
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.2083
_refine_ls_R_factor_gt           0.1412
_refine_ls_wR_factor_ref         0.2679
_refine_ls_wR_factor_gt          0.2530
_refine_ls_goodness_of_fit_ref   3.295
_refine_ls_restrained_S_all      3.295
_refine_ls_shift/su_max          0.032
_refine_ls_shift/su_mean         0.002

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
C22 C 0.0985(4) 0.7351(4) 0.6021(5) 0.082(2) Uani 1 1 d G . . . .
C23 C 0.1322(5) 0.8115(5) 0.5555(10) 0.274(10) Uani 1 1 d G . . . .
H23 H 0.1948 0.8136 0.5559 0.328 Uiso 1 1 calc R U . . .
C24 C 0.0724(7) 0.8849(5) 0.5084(11) 0.54(3) Uani 1 1 d G . . . .
H24 H 0.0950 0.9361 0.4773 0.652 Uiso 1 1 calc R U . . .
C25 C -0.0212(6) 0.8818(4) 0.5079(8) 0.248(9) Uani 1 1 d G . . . .
H25 H -0.0612 0.9308 0.4764 0.298 Uiso 1 1 calc R U . . .
C26 C -0.0549(4) 0.8053(5) 0.5545(11) 0.253(10) Uani 1 1 d G . . . .
H26 H -0.1175 0.8032 0.5541 0.303 Uiso 1 1 calc R U . . .
C27 C 0.0049(5) 0.7319(4) 0.6016(10) 0.249(9) Uani 1 1 d G . . . .
H27 H -0.0177 0.6807 0.6327 0.299 Uiso 1 1 calc R U . . .
C1 C 0.2782(6) 0.4732(5) 0.2670(7) 0.091(2) Uani 1 1 d . . . . .
H1 H 0.2635 0.5318 0.2831 0.109 Uiso 1 1 calc R U . . .
C2 C 0.3161(6) 0.4561(6) 0.1654(7) 0.101(3) Uani 1 1 d . . . . .
H2 H 0.3266 0.5028 0.1112 0.121 Uiso 1 1 calc R U . . .
C3 C 0.3392(6) 0.3702(7) 0.1418(8) 0.102(3) Uani 1 1 d . . . . .
H3 H 0.3668 0.3585 0.0733 0.122 Uiso 1 1 calc R U . . .
C4 C 0.3216(6) 0.3019(5) 0.2189(9) 0.095(2) Uani 1 1 d . . . . .
H4 H 0.3366 0.2434 0.2026 0.114 Uiso 1 1 calc R U . . .
C5 C 0.2808(5) 0.3197(4) 0.3230(7) 0.083(2) Uani 1 1 d . . . . .
H5 H 0.2673 0.2735 0.3754 0.099 Uiso 1 1 calc R U . . .
C6 C 0.2614(5) 0.4064(4) 0.3454(6) 0.0712(18) Uani 1 1 d . . . . .
C7 C 0.2162(6) 0.4262(4) 0.4577(6) 0.078(2) Uani 1 1 d . . . . .
H7 H 0.2050 0.3697 0.4994 0.094 Uiso 1 1 calc R U . . .
C8 C 0.1220(6) 0.4752(6) 0.3939(7) 0.096(3) Uani 1 1 d . . . . .
H8 H 0.0807 0.4546 0.3080 0.116 Uiso 1 1 calc R U . . .
C9 C 0.0951(5) 0.5436(5) 0.4505(7) 0.077(2) Uani 1 1 d . . . . .
H9 H 0.0364 0.5706 0.4056 0.093 Uiso 1 1 calc R U . . .
C10 C 0.1561(4) 0.5770(4) 0.5818(6) 0.0618(16) Uani 1 1 d . . . . .
C11 C 0.2367(4) 0.5174(4) 0.6701(6) 0.0584(16) Uani 1 1 d . . . . .
C12 C 0.1983(5) 0.4418(4) 0.7422(7) 0.084(2) Uani 1 1 d . . . . .
H12A H 0.2506 0.4056 0.7982 0.126 Uiso 1 1 calc R U . . .
H12B H 0.1542 0.4053 0.6716 0.126 Uiso 1 1 calc R U . . .
H12C H 0.1664 0.4678 0.8015 0.126 Uiso 1 1 calc R U . . .
C13 C 0.4457(5) 0.4504(5) 0.6301(7) 0.089(2) Uani 1 1 d . . . . .
H13A H 0.4566 0.5127 0.6530 0.133 Uiso 1 1 calc R U . . .
H13B H 0.4422 0.4409 0.5342 0.133 Uiso 1 1 calc R U . . .
H13C H 0.4972 0.4157 0.6916 0.133 Uiso 1 1 calc R U . . .
C14 C 0.2979(4) 0.5801(4) 0.7780(6) 0.0516(15) Uani 1 1 d . . . . .
C15 C 0.2490(4) 0.6627(4) 0.7670(6) 0.0499(14) Uani 1 1 d . . . . .
C16 C 0.1631(4) 0.6586(4) 0.6465(6) 0.0585(16) Uani 1 1 d . . . . .
C17 C 0.3841(4) 0.5708(4) 0.8825(6) 0.0593(16) Uani 1 1 d . . . . .
H17 H 0.4176 0.5172 0.8920 0.071 Uiso 1 1 calc R U . . .
C18 C 0.4211(4) 0.6395(5) 0.9726(6) 0.0658(18) Uani 1 1 d . . . . .
H18 H 0.4804 0.6320 1.0419 0.079 Uiso 1 1 calc R U . . .
C19 C 0.3748(5) 0.7191(4) 0.9655(6) 0.0656(17) Uani 1 1 d . . . . .
C20 C 0.2876(4) 0.7303(4) 0.8622(6) 0.0593(16) Uani 1 1 d . . . . .
H20 H 0.2545 0.7838 0.8564 0.071 Uiso 1 1 calc R U . . .
C21 C 0.4152(5) 0.7916(4) 1.0721(7) 0.091(2) Uani 1 1 d . . . . .
H21A H 0.4756 0.8107 1.0668 0.136 Uiso 1 1 calc R U . . .
H21B H 0.4240 0.7690 1.1648 0.136 Uiso 1 1 calc R U . . .
H21C H 0.3720 0.8415 1.0528 0.136 Uiso 1 1 calc R U . . .
N1 N 0.2817(4) 0.4825(3) 0.5684(5) 0.0603(13) Uani 1 1 d . . . . .
O1 O 0.3570(3) 0.4230(2) 0.6472(4) 0.0704(13) Uani 1 1 d . . . . .


_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
C22 C23 1.3900 . ?
C22 C27 1.3900 . ?
C22 C16 1.462(7) . ?
C23 C24 1.3900 . ?
C23 H23 0.9300 . ?
C24 C25 1.3900 . ?
C24 H24 0.9300 . ?
C25 C26 1.3900 . ?
C25 H25 0.9300 . ?
C26 C27 1.3900 . ?
C26 H26 0.9300 . ?
C27 H27 0.9300 . ?
C1 C2 1.347(10) . ?
C1 C6 1.346(9) . ?
C1 H1 0.9300 . ?
C2 C3 1.368(10) . ?
C2 H2 0.9300 . ?
C3 C4 1.358(10) . ?
C3 H3 0.9300 . ?
C4 C5 1.401(10) . ?
C4 H4 0.9300 . ?
C5 C6 1.360(8) . ?
C5 H5 0.9300 . ?
C6 C7 1.526(9) . ?
C7 N1 1.473(7) . ?
C7 C8 1.519(10) . ?
C7 H7 0.9800 . ?
C8 C9 1.296(9) . ?
C8 H8 0.9300 . ?
C9 C10 1.420(8) . ?
C9 H9 0.9300 . ?
C10 C16 1.369(8) . ?
C10 C11 1.518(8) . ?
C11 N1 1.493(7) . ?
C11 C14 1.491(8) . ?
C11 C12 1.550(8) . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 O1 1.444(8) . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 C17 1.366(7) . ?
C14 C15 1.416(7) . ?
C15 C20 1.378(7) . ?
C15 C16 1.439(8) . ?
C17 C18 1.358(8) . ?
C17 H17 0.9300 . ?
C18 C19 1.363(8) . ?
C18 H18 0.9300 . ?
C19 C20 1.374(7) . ?
C19 C21 1.501(8) . ?
C20 H20 0.9300 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
N1 O1 1.442(5) . ?

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
C23 C22 C27 120.0 . . ?
C23 C22 C16 118.0(5) . . ?
C27 C22 C16 122.0(5) . . ?
C24 C23 C22 120.0 . . ?
C24 C23 H23 120.0 . . ?
C22 C23 H23 120.0 . . ?
C23 C24 C25 120.0 . . ?
C23 C24 H24 120.0 . . ?
C25 C24 H24 120.0 . . ?
C26 C25 C24 120.0 . . ?
C26 C25 H25 120.0 . . ?
C24 C25 H25 120.0 . . ?
C25 C26 C27 120.0 . . ?
C25 C26 H26 120.0 . . ?
C27 C26 H26 120.0 . . ?
C26 C27 C22 120.0 . . ?
C26 C27 H27 120.0 . . ?
C22 C27 H27 120.0 . . ?
C2 C1 C6 120.8(7) . . ?
C2 C1 H1 119.6 . . ?
C6 C1 H1 119.6 . . ?
C3 C2 C1 120.1(8) . . ?
C3 C2 H2 119.9 . . ?
C1 C2 H2 119.9 . . ?
C4 C3 C2 119.8(8) . . ?
C4 C3 H3 120.1 . . ?
C2 C3 H3 120.1 . . ?
C3 C4 C5 120.0(7) . . ?
C3 C4 H4 120.0 . . ?
C5 C4 H4 120.0 . . ?
C6 C5 C4 118.2(7) . . ?
C6 C5 H5 120.9 . . ?
C4 C5 H5 120.9 . . ?
C5 C6 C1 121.0(7) . . ?
C5 C6 C7 118.5(6) . . ?
C1 C6 C7 120.4(6) . . ?
N1 C7 C6 109.2(6) . . ?
N1 C7 C8 109.1(5) . . ?
C6 C7 C8 110.6(6) . . ?
N1 C7 H7 109.3 . . ?
C6 C7 H7 109.3 . . ?
C8 C7 H7 109.3 . . ?
C9 C8 C7 124.7(6) . . ?
C9 C8 H8 117.6 . . ?
C7 C8 H8 117.6 . . ?
C8 C9 C10 119.4(6) . . ?
C8 C9 H9 120.3 . . ?
C10 C9 H9 120.3 . . ?
C16 C10 C9 132.8(6) . . ?
C16 C10 C11 108.8(5) . . ?
C9 C10 C11 118.2(6) . . ?
N1 C11 C10 104.4(4) . . ?
N1 C11 C14 114.6(5) . . ?
C10 C11 C14 103.2(4) . . ?
N1 C11 C12 112.8(4) . . ?
C10 C11 C12 111.1(5) . . ?
C14 C11 C12 110.2(5) . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
O1 C13 H13A 109.5 . . ?
O1 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
O1 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C17 C14 C15 118.2(5) . . ?
C17 C14 C11 133.2(5) . . ?
C15 C14 C11 108.5(5) . . ?
C20 C15 C14 120.0(5) . . ?
C20 C15 C16 131.5(5) . . ?
C14 C15 C16 108.5(5) . . ?
C10 C16 C15 110.1(5) . . ?
C10 C16 C22 127.6(6) . . ?
C15 C16 C22 122.2(6) . . ?
C14 C17 C18 120.3(6) . . ?
C14 C17 H17 119.9 . . ?
C18 C17 H17 119.9 . . ?
C17 C18 C19 122.6(6) . . ?
C17 C18 H18 118.7 . . ?
C19 C18 H18 118.7 . . ?
C18 C19 C20 118.5(6) . . ?
C18 C19 C21 121.1(6) . . ?
C20 C19 C21 120.3(6) . . ?
C19 C20 C15 120.4(5) . . ?
C19 C20 H20 119.8 . . ?
C15 C20 H20 119.8 . . ?
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 . . ?
O1 N1 C7 105.1(4) . . ?
O1 N1 C11 106.3(4) . . ?
C7 N1 C11 112.6(5) . . ?
C13 O1 N1 109.4(4) . . ?

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
C27 C22 C23 C24 0.0 . . . . ?
C16 C22 C23 C24 178.1(5) . . . . ?
C22 C23 C24 C25 0.0 . . . . ?
C23 C24 C25 C26 0.0 . . . . ?
C24 C25 C26 C27 0.0 . . . . ?
C25 C26 C27 C22 0.0 . . . . ?
C23 C22 C27 C26 0.0 . . . . ?
C16 C22 C27 C26 -178.1(5) . . . . ?
C6 C1 C2 C3 -0.8(12) . . . . ?
C1 C2 C3 C4 1.6(12) . . . . ?
C2 C3 C4 C5 -0.6(12) . . . . ?
C3 C4 C5 C6 -1.2(11) . . . . ?
C4 C5 C6 C1 2.0(11) . . . . ?
C4 C5 C6 C7 179.5(6) . . . . ?
C2 C1 C6 C5 -1.0(11) . . . . ?
C2 C1 C6 C7 -178.5(7) . . . . ?
C5 C6 C7 N1 117.9(6) . . . . ?
C1 C6 C7 N1 -64.6(8) . . . . ?
C5 C6 C7 C8 -122.0(7) . . . . ?
C1 C6 C7 C8 55.5(9) . . . . ?
N1 C7 C8 C9 -16.2(10) . . . . ?
C6 C7 C8 C9 -136.2(7) . . . . ?
C7 C8 C9 C10 -0.1(11) . . . . ?
C8 C9 C10 C16 157.6(7) . . . . ?
C8 C9 C10 C11 -16.7(10) . . . . ?
C16 C10 C11 N1 -129.0(5) . . . . ?
C9 C10 C11 N1 46.6(7) . . . . ?
C16 C10 C11 C14 -8.9(6) . . . . ?
C9 C10 C11 C14 166.7(6) . . . . ?
C16 C10 C11 C12 109.2(6) . . . . ?
C9 C10 C11 C12 -75.3(7) . . . . ?
N1 C11 C14 C17 -62.0(8) . . . . ?
C10 C11 C14 C17 -174.9(6) . . . . ?
C12 C11 C14 C17 66.4(8) . . . . ?
N1 C11 C14 C15 121.8(5) . . . . ?
C10 C11 C14 C15 8.9(6) . . . . ?
C12 C11 C14 C15 -109.8(5) . . . . ?
C17 C14 C15 C20 -1.4(8) . . . . ?
C11 C14 C15 C20 175.4(5) . . . . ?
C17 C14 C15 C16 177.2(5) . . . . ?
C11 C14 C15 C16 -6.0(6) . . . . ?
C9 C10 C16 C15 -169.0(7) . . . . ?
C11 C10 C16 C15 5.7(7) . . . . ?
C9 C10 C16 C22 8.2(11) . . . . ?
C11 C10 C16 C22 -177.1(6) . . . . ?
C20 C15 C16 C10 178.5(6) . . . . ?
C14 C15 C16 C10 0.1(6) . . . . ?
C20 C15 C16 C22 1.1(9) . . . . ?
C14 C15 C16 C22 -177.2(5) . . . . ?
C23 C22 C16 C10 -112.0(7) . . . . ?
C27 C22 C16 C10 66.1(8) . . . . ?
C23 C22 C16 C15 64.8(7) . . . . ?
C27 C22 C16 C15 -117.1(7) . . . . ?
C15 C14 C17 C18 0.0(8) . . . . ?
C11 C14 C17 C18 -175.9(6) . . . . ?
C14 C17 C18 C19 1.1(9) . . . . ?
C17 C18 C19 C20 -0.6(9) . . . . ?
C17 C18 C19 C21 176.4(6) . . . . ?
C18 C19 C20 C15 -0.9(8) . . . . ?
C21 C19 C20 C15 -177.9(6) . . . . ?
C14 C15 C20 C19 1.9(8) . . . . ?
C16 C15 C20 C19 -176.3(6) . . . . ?
C6 C7 N1 O1 -74.1(6) . . . . ?
C8 C7 N1 O1 164.9(5) . . . . ?
C6 C7 N1 C11 170.6(5) . . . . ?
C8 C7 N1 C11 49.7(6) . . . . ?
C10 C11 N1 O1 -178.2(4) . . . . ?
C14 C11 N1 O1 69.6(5) . . . . ?
C12 C11 N1 O1 -57.5(6) . . . . ?
C10 C11 N1 C7 -63.7(6) . . . . ?
C14 C11 N1 C7 -175.8(5) . . . . ?
C12 C11 N1 C7 57.0(6) . . . . ?
C7 N1 O1 C13 114.9(5) . . . . ?
C11 N1 O1 C13 -125.6(5) . . . . ?

_refine_diff_density_max         1.069
_refine_diff_density_min         -0.599
_refine_diff_density_rms         0.086



