# 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_zxm249
_database_code_depnum_ccdc_archive 'CCDC 2059099'
loop_
_audit_author_name
_audit_author_address
'Xiaoming Zhu'
;changsha,  yueluqu
China
;
_audit_update_record             
;
2021-01-27 deposited with the CCDC.	2021-07-11 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C27 H23 N O'
_chemical_formula_weight         377.46

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                   10.809(2)
_cell_length_b                   18.238(3)
_cell_length_c                   10.0836(18)
_cell_angle_alpha                90
_cell_angle_beta                 94.369(3)
_cell_angle_gamma                90
_cell_volume                     1982.1(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    5557
_cell_measurement_theta_min      2.31
_cell_measurement_theta_max      26.41

_exptl_crystal_description       block
_exptl_crystal_colour            ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.265
_exptl_crystal_F_000             800
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_absorpt_coefficient_mu    0.076
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_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            11271
_diffrn_reflns_av_unetI/netI     0.0344
_diffrn_reflns_av_R_equivalents  0.0338
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         1.889
_diffrn_reflns_theta_max         26.457
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             4085
_reflns_number_gt                3373
_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 (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)+(0.1000P)²] 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         4085
_refine_ls_number_parameters     264
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0550
_refine_ls_R_factor_gt           0.0459
_refine_ls_wR_factor_ref         0.1651
_refine_ls_wR_factor_gt          0.1537
_refine_ls_goodness_of_fit_ref   1.250
_refine_ls_restrained_S_all      1.250
_refine_ls_shift/su_max          0.015
_refine_ls_shift/su_mean         0.001

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
C24 C 0.92488(14) 0.02487(10) 0.84235(16) 0.0594(4) Uani 1 1 d . . . . .
H24 H 1.0106 0.0236 0.8593 0.071 Uiso 1 1 calc R U . . .
C25 C 0.86144(14) 0.09035(10) 0.84905(15) 0.0574(4) Uani 1 1 d . . . . .
H25 H 0.9047 0.1332 0.8718 0.069 Uiso 1 1 calc R U . . .
C26 C 0.73442(14) 0.09270(9) 0.82225(15) 0.0515(4) Uani 1 1 d . . . . .
H26 H 0.6932 0.1373 0.8255 0.062 Uiso 1 1 calc R U . . .
C14 C 0.24430(14) 0.04101(8) 0.59032(14) 0.0509(4) Uani 1 1 d . . . . .
H14A H 0.1773 0.0755 0.5692 0.061 Uiso 1 1 calc R U . . .
H14B H 0.2983 0.0404 0.5178 0.061 Uiso 1 1 calc R U . . .
C4 C 0.45643(13) -0.03312(8) 0.82724(15) 0.0504(4) Uani 1 1 d . . . . .
H4A H 0.4842 -0.0420 0.9196 0.060 Uiso 1 1 calc R U . . .
H4B H 0.4659 -0.0779 0.7771 0.060 Uiso 1 1 calc R U . . .
C23 C 0.86057(15) -0.03784(10) 0.8107(2) 0.0695(5) Uani 1 1 d . . . . .
H23 H 0.9028 -0.0821 0.8061 0.083 Uiso 1 1 calc R U . . .
C22 C 0.73303(14) -0.03625(9) 0.78532(17) 0.0563(4) Uani 1 1 d . . . . .
H22 H 0.6907 -0.0796 0.7645 0.068 Uiso 1 1 calc R U . . .
O1 O 0.17937(10) 0.12454(6) 0.86243(13) 0.0653(4) Uani 1 1 d . . . . .
C21 C 0.66692(12) 0.02902(7) 0.79036(13) 0.0417(3) Uani 1 1 d . . . . .
C5 C 0.52976(12) 0.02871(7) 0.77086(13) 0.0426(3) Uani 1 1 d . . . . .
C6 C 0.45381(12) 0.07864(7) 0.71064(12) 0.0408(3) Uani 1 1 d . . . . .
C2 C 0.31879(11) 0.06211(7) 0.72474(12) 0.0404(3) Uani 1 1 d . . . . .
C3 C 0.31982(12) -0.00721(7) 0.81481(13) 0.0434(3) Uani 1 1 d . . . . .
H3 H 0.2910 0.0044 0.9022 0.052 Uiso 1 1 calc R U . . .
N1 N 0.29424(10) 0.19560(6) 0.73429(11) 0.0419(3) Uani 1 1 d . . . . .
C13 C 0.22994(15) 0.26109(9) 0.77573(18) 0.0578(4) Uani 1 1 d . . . . .
H13A H 0.1725 0.2478 0.8397 0.087 Uiso 1 1 calc R U . . .
H13B H 0.1857 0.2831 0.6997 0.087 Uiso 1 1 calc R U . . .
H13C H 0.2893 0.2954 0.8150 0.087 Uiso 1 1 calc R U . . .
C1 C 0.25810(11) 0.12896(8) 0.78208(14) 0.0432(3) Uani 1 1 d . . . . .
C15 C 0.19424(11) -0.03420(7) 0.61432(13) 0.0400(3) Uani 1 1 d . . . . .
C16 C 0.12092(12) -0.07747(8) 0.52619(13) 0.0433(3) Uani 1 1 d . . . . .
H16 H 0.0944 -0.0593 0.4426 0.052 Uiso 1 1 calc R U . . .
C17 C 0.08715(12) -0.14759(8) 0.56251(14) 0.0454(3) Uani 1 1 d . . . . .
C20 C 0.23354(11) -0.06035(7) 0.74039(13) 0.0404(3) Uani 1 1 d . . . . .
C19 C 0.19801(13) -0.12966(8) 0.77916(14) 0.0480(4) Uani 1 1 d . . . . .
H19 H 0.2224 -0.1472 0.8637 0.058 Uiso 1 1 calc R U . . .
C18 C 0.12546(13) -0.17253(8) 0.69002(15) 0.0499(4) Uani 1 1 d . . . . .
H18 H 0.1017 -0.2191 0.7159 0.060 Uiso 1 1 calc R U . . .
C7 C 0.47686(11) 0.14603(8) 0.63703(13) 0.0418(3) Uani 1 1 d . . . . .
C12 C 0.39215(11) 0.20373(7) 0.64867(12) 0.0381(3) Uani 1 1 d . . . . .
C11 C 0.40773(13) 0.26909(8) 0.58032(14) 0.0491(4) Uani 1 1 d . . . . .
H11 H 0.3531 0.3078 0.5895 0.059 Uiso 1 1 calc R U . . .
C10 C 0.50402(15) 0.27648(9) 0.49902(16) 0.0581(4) Uani 1 1 d . . . . .
H10 H 0.5140 0.3204 0.4542 0.070 Uiso 1 1 calc R U . . .
C9 C 0.58545(16) 0.21975(10) 0.48332(17) 0.0648(5) Uani 1 1 d . . . . .
H9 H 0.6491 0.2249 0.4269 0.078 Uiso 1 1 calc R U . . .
C8 C 0.57176(14) 0.15481(9) 0.55233(16) 0.0565(4) Uani 1 1 d . . . . .
H8 H 0.6269 0.1165 0.5419 0.068 Uiso 1 1 calc R U . . .
C27 C 0.01345(16) -0.19664(10) 0.46553(17) 0.0636(4) Uani 1 1 d . . . . .
H27A H -0.0684 -0.2033 0.4943 0.095 Uiso 1 1 calc R U . . .
H27B H 0.0539 -0.2434 0.4616 0.095 Uiso 1 1 calc R U . . .
H27C H 0.0079 -0.1745 0.3789 0.095 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
C24 C23 1.364(2) . ?
C24 C25 1.381(2) . ?
C24 H24 0.9300 . ?
C25 C26 1.380(2) . ?
C25 H25 0.9300 . ?
C26 C21 1.396(2) . ?
C26 H26 0.9300 . ?
C14 C15 1.5009(19) . ?
C14 C2 1.5708(18) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C4 C5 1.5139(19) . ?
C4 C3 1.546(2) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C23 C22 1.383(2) . ?
C23 H23 0.9300 . ?
C22 C21 1.3914(19) . ?
C22 H22 0.9300 . ?
O1 C1 1.2215(17) . ?
C21 C5 1.4807(19) . ?
C5 C6 1.3401(18) . ?
C6 C7 1.4669(18) . ?
C6 C2 1.5076(18) . ?
C2 C1 1.5195(19) . ?
C2 C3 1.5562(18) . ?
C3 C20 1.5052(18) . ?
C3 H3 0.9800 . ?
N1 C1 1.3750(17) . ?
N1 C12 1.4236(16) . ?
N1 C13 1.4589(17) . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C15 C16 1.3905(18) . ?
C15 C20 1.3935(18) . ?
C16 C17 1.3867(19) . ?
C16 H16 0.9300 . ?
C17 C18 1.397(2) . ?
C17 C27 1.5075(19) . ?
C20 C19 1.3860(19) . ?
C19 C18 1.3881(19) . ?
C19 H19 0.9300 . ?
C18 H18 0.9300 . ?
C7 C8 1.3931(19) . ?
C7 C12 1.4056(18) . ?
C12 C11 1.3936(19) . ?
C11 C10 1.380(2) . ?
C11 H11 0.9300 . ?
C10 C9 1.375(2) . ?
C10 H10 0.9300 . ?
C9 C8 1.387(2) . ?
C9 H9 0.9300 . ?
C8 H8 0.9300 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 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
C23 C24 C25 119.37(14) . . ?
C23 C24 H24 120.3 . . ?
C25 C24 H24 120.3 . . ?
C26 C25 C24 120.50(15) . . ?
C26 C25 H25 119.7 . . ?
C24 C25 H25 119.7 . . ?
C25 C26 C21 120.95(14) . . ?
C25 C26 H26 119.5 . . ?
C21 C26 H26 119.5 . . ?
C15 C14 C2 104.60(11) . . ?
C15 C14 H14A 110.8 . . ?
C2 C14 H14A 110.8 . . ?
C15 C14 H14B 110.8 . . ?
C2 C14 H14B 110.8 . . ?
H14A C14 H14B 108.9 . . ?
C5 C4 C3 105.42(11) . . ?
C5 C4 H4A 110.7 . . ?
C3 C4 H4A 110.7 . . ?
C5 C4 H4B 110.7 . . ?
C3 C4 H4B 110.7 . . ?
H4A C4 H4B 108.8 . . ?
C24 C23 C22 120.59(15) . . ?
C24 C23 H23 119.7 . . ?
C22 C23 H23 119.7 . . ?
C23 C22 C21 121.23(15) . . ?
C23 C22 H22 119.4 . . ?
C21 C22 H22 119.4 . . ?
C22 C21 C26 117.35(13) . . ?
C22 C21 C5 120.25(12) . . ?
C26 C21 C5 122.29(12) . . ?
C6 C5 C21 129.06(12) . . ?
C6 C5 C4 110.86(12) . . ?
C21 C5 C4 120.04(11) . . ?
C5 C6 C7 132.60(12) . . ?
C5 C6 C2 112.67(12) . . ?
C7 C6 C2 114.72(11) . . ?
C6 C2 C1 108.94(10) . . ?
C6 C2 C3 104.69(10) . . ?
C1 C2 C3 114.45(11) . . ?
C6 C2 C14 113.82(11) . . ?
C1 C2 C14 108.49(11) . . ?
C3 C2 C14 106.56(10) . . ?
C20 C3 C4 113.28(11) . . ?
C20 C3 C2 104.81(10) . . ?
C4 C3 C2 105.07(11) . . ?
C20 C3 H3 111.1 . . ?
C4 C3 H3 111.1 . . ?
C2 C3 H3 111.1 . . ?
C1 N1 C12 123.28(11) . . ?
C1 N1 C13 117.97(11) . . ?
C12 N1 C13 118.75(11) . . ?
N1 C13 H13A 109.5 . . ?
N1 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
N1 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
O1 C1 N1 121.45(12) . . ?
O1 C1 C2 122.83(12) . . ?
N1 C1 C2 115.69(11) . . ?
C16 C15 C20 120.53(12) . . ?
C16 C15 C14 127.63(12) . . ?
C20 C15 C14 111.80(11) . . ?
C17 C16 C15 120.22(12) . . ?
C17 C16 H16 119.9 . . ?
C15 C16 H16 119.9 . . ?
C16 C17 C18 118.56(12) . . ?
C16 C17 C27 120.84(13) . . ?
C18 C17 C27 120.59(14) . . ?
C19 C20 C15 119.85(12) . . ?
C19 C20 C3 128.40(12) . . ?
C15 C20 C3 111.63(12) . . ?
C20 C19 C18 119.08(13) . . ?
C20 C19 H19 120.5 . . ?
C18 C19 H19 120.5 . . ?
C19 C18 C17 121.73(13) . . ?
C19 C18 H18 119.1 . . ?
C17 C18 H18 119.1 . . ?
C8 C7 C12 118.68(13) . . ?
C8 C7 C6 124.60(12) . . ?
C12 C7 C6 116.62(11) . . ?
C11 C12 C7 119.67(12) . . ?
C11 C12 N1 120.82(12) . . ?
C7 C12 N1 119.46(11) . . ?
C10 C11 C12 120.16(13) . . ?
C10 C11 H11 119.9 . . ?
C12 C11 H11 119.9 . . ?
C9 C10 C11 120.88(14) . . ?
C9 C10 H10 119.6 . . ?
C11 C10 H10 119.6 . . ?
C10 C9 C8 119.40(14) . . ?
C10 C9 H9 120.3 . . ?
C8 C9 H9 120.3 . . ?
C9 C8 C7 121.15(14) . . ?
C9 C8 H8 119.4 . . ?
C7 C8 H8 119.4 . . ?
C17 C27 H27A 109.5 . . ?
C17 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C17 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 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
C23 C24 C25 C26 -0.9(2) . . . . ?
C24 C25 C26 C21 1.2(2) . . . . ?
C25 C24 C23 C22 0.1(3) . . . . ?
C24 C23 C22 C21 0.4(3) . . . . ?
C23 C22 C21 C26 -0.1(2) . . . . ?
C23 C22 C21 C5 -176.28(15) . . . . ?
C25 C26 C21 C22 -0.7(2) . . . . ?
C25 C26 C21 C5 175.37(13) . . . . ?
C22 C21 C5 C6 -144.49(15) . . . . ?
C26 C21 C5 C6 39.5(2) . . . . ?
C22 C21 C5 C4 37.81(19) . . . . ?
C26 C21 C5 C4 -138.16(14) . . . . ?
C3 C4 C5 C6 -9.92(15) . . . . ?
C3 C4 C5 C21 168.17(11) . . . . ?
C21 C5 C6 C7 4.9(2) . . . . ?
C4 C5 C6 C7 -177.22(14) . . . . ?
C21 C5 C6 C2 -173.70(12) . . . . ?
C4 C5 C6 C2 4.17(16) . . . . ?
C5 C6 C2 C1 126.16(12) . . . . ?
C7 C6 C2 C1 -52.71(14) . . . . ?
C5 C6 C2 C3 3.32(15) . . . . ?
C7 C6 C2 C3 -175.55(10) . . . . ?
C5 C6 C2 C14 -112.64(13) . . . . ?
C7 C6 C2 C14 68.49(15) . . . . ?
C15 C14 C2 C6 121.28(12) . . . . ?
C15 C14 C2 C1 -117.27(12) . . . . ?
C15 C14 C2 C3 6.42(14) . . . . ?
C5 C4 C3 C20 125.14(12) . . . . ?
C5 C4 C3 C2 11.31(14) . . . . ?
C6 C2 C3 C20 -128.68(11) . . . . ?
C1 C2 C3 C20 112.13(12) . . . . ?
C14 C2 C3 C20 -7.78(14) . . . . ?
C6 C2 C3 C4 -9.05(13) . . . . ?
C1 C2 C3 C4 -128.24(11) . . . . ?
C14 C2 C3 C4 111.85(12) . . . . ?
C12 N1 C1 O1 175.00(13) . . . . ?
C13 N1 C1 O1 -3.9(2) . . . . ?
C12 N1 C1 C2 -7.13(18) . . . . ?
C13 N1 C1 C2 173.94(12) . . . . ?
C6 C2 C1 O1 -142.21(14) . . . . ?
C3 C2 C1 O1 -25.44(18) . . . . ?
C14 C2 C1 O1 93.39(16) . . . . ?
C6 C2 C1 N1 39.95(15) . . . . ?
C3 C2 C1 N1 156.72(11) . . . . ?
C14 C2 C1 N1 -84.45(14) . . . . ?
C2 C14 C15 C16 179.59(12) . . . . ?
C2 C14 C15 C20 -2.57(15) . . . . ?
C20 C15 C16 C17 -0.66(19) . . . . ?
C14 C15 C16 C17 177.01(13) . . . . ?
C15 C16 C17 C18 1.75(19) . . . . ?
C15 C16 C17 C27 -176.72(13) . . . . ?
C16 C15 C20 C19 -0.87(19) . . . . ?
C14 C15 C20 C19 -178.89(12) . . . . ?
C16 C15 C20 C3 175.46(11) . . . . ?
C14 C15 C20 C3 -2.55(16) . . . . ?
C4 C3 C20 C19 68.52(18) . . . . ?
C2 C3 C20 C19 -177.50(13) . . . . ?
C4 C3 C20 C15 -107.43(13) . . . . ?
C2 C3 C20 C15 6.55(14) . . . . ?
C15 C20 C19 C18 1.3(2) . . . . ?
C3 C20 C19 C18 -174.39(13) . . . . ?
C20 C19 C18 C17 -0.1(2) . . . . ?
C16 C17 C18 C19 -1.4(2) . . . . ?
C27 C17 C18 C19 177.11(13) . . . . ?
C5 C6 C7 C8 37.2(2) . . . . ?
C2 C6 C7 C8 -144.23(14) . . . . ?
C5 C6 C7 C12 -146.38(15) . . . . ?
C2 C6 C7 C12 32.21(16) . . . . ?
C8 C7 C12 C11 -2.7(2) . . . . ?
C6 C7 C12 C11 -179.36(12) . . . . ?
C8 C7 C12 N1 179.72(12) . . . . ?
C6 C7 C12 N1 3.07(17) . . . . ?
C1 N1 C12 C11 165.97(13) . . . . ?
C13 N1 C12 C11 -15.11(18) . . . . ?
C1 N1 C12 C7 -16.48(18) . . . . ?
C13 N1 C12 C7 162.44(13) . . . . ?
C7 C12 C11 C10 1.6(2) . . . . ?
N1 C12 C11 C10 179.16(13) . . . . ?
C12 C11 C10 C9 0.4(2) . . . . ?
C11 C10 C9 C8 -1.3(3) . . . . ?
C10 C9 C8 C7 0.1(3) . . . . ?
C12 C7 C8 C9 1.9(2) . . . . ?
C6 C7 C8 C9 178.22(14) . . . . ?

_refine_diff_density_max         0.218
_refine_diff_density_min         -0.197
_refine_diff_density_rms         0.040

_shelxl_version_number           2014-3

