# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 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_20210815a_auto
_audit_block_doi                 10.5517/ccdc.csd.cc28wrmk
_database_code_depnum_ccdc_archive 'CCDC 2112049'
loop_
_audit_author_name
_audit_author_address
'xia dong'
;beijing normal university
China
;
_audit_update_record             
;
2021-09-25 deposited with the CCDC.	2021-11-24 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/1
_shelx_SHELXL_version_number     2018/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C25 H22 N2 O'
_chemical_formula_weight         366.44

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           29
_space_group_name_H-M_alt        'P c a 21'
_space_group_name_Hall           'P 2c -2ac'

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

_cell_length_a                   22.1929(4)
_cell_length_b                   12.0792(3)
_cell_length_c                   7.0699(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     1895.25(8)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.284
_exptl_crystal_F_000             776
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_absorpt_coefficient_mu    0.615
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            6734
_diffrn_reflns_av_unetI/netI     0.0434
_diffrn_reflns_av_R_equivalents  0.0368
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -7
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_theta_min         3.659
_diffrn_reflns_theta_max         76.416
_diffrn_reflns_theta_full        67.684
_diffrn_measured_fraction_theta_max 0.957
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.957
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.760
_diffrn_reflns_point_group_measured_fraction_full 0.809
_reflns_number_total             3021
_reflns_number_gt                2902
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.462
_reflns_Friedel_fraction_max     0.525
_reflns_Friedel_fraction_full    0.582

_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       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/1 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_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)+(0.0532P)²+0.2806P] 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-2018/1 (Sheldrick 2018)'
_refine_ls_extinction_coef       0.0016(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_abs_structure_details 
;
 Flack x determined using 881 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.1(2)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         3021
_refine_ls_number_parameters     254
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0377
_refine_ls_R_factor_gt           0.0363
_refine_ls_wR_factor_ref         0.0949
_refine_ls_wR_factor_gt          0.0935
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_restrained_S_all      1.051
_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
O28 O 0.74787(6) 0.20891(10) 0.5060(3) 0.0278(3) Uani 1 1 d . . . . .
N1 N 0.73499(7) 0.60010(11) 0.4907(3) 0.0191(3) Uani 1 1 d . . . . .
C9 C 0.79482(8) 0.62442(14) 0.4961(4) 0.0202(4) Uani 1 1 d . . . . .
N16 N 0.87784(10) 0.89384(15) 0.5623(4) 0.0386(5) Uani 1 1 d . . . . .
C2 C 0.72092(8) 0.49392(14) 0.4953(3) 0.0182(4) Uani 1 1 d . . . . .
C5 C 0.72736(8) 0.30211(14) 0.5059(4) 0.0209(4) Uani 1 1 d . . . . .
C15 C 0.55519(9) 0.48812(16) 0.3643(3) 0.0221(4) Uani 1 1 d . . . . .
H15 H 0.555470 0.418661 0.301336 0.027 Uiso 1 1 calc R U . . .
C3 C 0.65829(8) 0.44753(13) 0.4922(3) 0.0183(4) Uani 1 1 d . . . . .
C18 C 0.80859(9) 0.74481(14) 0.4968(4) 0.0215(4) Uani 1 1 d . . . . .
C6 C 0.76247(8) 0.40755(14) 0.5032(4) 0.0201(4) Uani 1 1 d . . . . .
C7 C 0.82284(8) 0.43115(15) 0.5039(4) 0.0215(4) Uani 1 1 d . . . . .
H7 H 0.852255 0.374040 0.506551 0.026 Uiso 1 1 calc R U . . .
C10 C 0.60503(8) 0.51966(14) 0.4740(3) 0.0187(4) Uani 1 1 d . . . . .
C26 C 0.55651(10) 0.10247(17) 0.3245(4) 0.0255(5) Uani 1 1 d . . . . .
H26A H 0.517392 0.141539 0.333291 0.031 Uiso 1 1 calc R U . . .
H26B H 0.556921 0.059819 0.204924 0.031 Uiso 1 1 calc R U . . .
C4 C 0.66163(8) 0.33527(14) 0.5033(3) 0.0201(4) Uani 1 1 d . . . . .
C19 C 0.76477(10) 0.82118(16) 0.4442(3) 0.0260(5) Uani 1 1 d . . . . .
H19 H 0.726159 0.796693 0.403984 0.031 Uiso 1 1 calc R U . . .
C23 C 0.61813(9) 0.16949(17) 0.6764(3) 0.0230(5) Uani 1 1 d . . . . .
H23A H 0.656726 0.128952 0.664685 0.028 Uiso 1 1 calc R U . . .
H23B H 0.618668 0.210819 0.797272 0.028 Uiso 1 1 calc R U . . .
C11 C 0.60375(9) 0.62350(15) 0.5628(3) 0.0209(4) Uani 1 1 d . . . . .
H11 H 0.637362 0.647198 0.635465 0.025 Uiso 1 1 calc R U . . .
C14 C 0.50550(10) 0.55712(18) 0.3468(4) 0.0268(5) Uani 1 1 d . . . . .
H14 H 0.471900 0.534562 0.272976 0.032 Uiso 1 1 calc R U . . .
C12 C 0.55382(9) 0.69195(15) 0.5453(3) 0.0251(5) Uani 1 1 d . . . . .
H12 H 0.553194 0.761555 0.607790 0.030 Uiso 1 1 calc R U . . .
C8 C 0.83936(8) 0.54309(14) 0.5007(3) 0.0210(4) Uani 1 1 d . . . . .
H8 H 0.880707 0.563455 0.501644 0.025 Uiso 1 1 calc R U . . .
C20 C 0.77789(11) 0.93315(17) 0.4508(3) 0.0294(5) Uani 1 1 d . . . . .
H20 H 0.748714 0.986770 0.415106 0.035 Uiso 1 1 calc R U . . .
C27 C 0.60778(10) 0.18729(17) 0.3224(4) 0.0243(5) Uani 1 1 d . . . . .
H27A H 0.601245 0.240225 0.217520 0.029 Uiso 1 1 calc R U . . .
H27B H 0.646440 0.148684 0.299478 0.029 Uiso 1 1 calc R U . . .
C24 C 0.56559(10) 0.08675(17) 0.6769(4) 0.0256(5) Uani 1 1 d . . . . .
H24A H 0.570670 0.034050 0.782928 0.031 Uiso 1 1 calc R U . . .
H24B H 0.527219 0.127018 0.696068 0.031 Uiso 1 1 calc R U . . .
C25 C 0.56302(9) 0.02331(15) 0.4913(4) 0.0276(5) Uani 1 1 d . . . . .
H25A H 0.528397 -0.028355 0.493510 0.033 Uiso 1 1 calc R U . . .
H25B H 0.600279 -0.020871 0.476231 0.033 Uiso 1 1 calc R U . . .
C22 C 0.61158(8) 0.25128(14) 0.5104(3) 0.0206(4) Uani 1 1 d . . . . .
H22 H 0.572801 0.292221 0.527580 0.025 Uiso 1 1 calc R U . . .
C21 C 0.83453(10) 0.96476(16) 0.5107(4) 0.0313(5) Uani 1 1 d . . . . .
H21 H 0.843322 1.041682 0.515562 0.038 Uiso 1 1 calc R U . . .
C13 C 0.50497(9) 0.65930(18) 0.4373(4) 0.0275(5) Uani 1 1 d . . . . .
H13 H 0.471045 0.706721 0.424964 0.033 Uiso 1 1 calc R U . . .
C17 C 0.86428(10) 0.78570(17) 0.5546(4) 0.0321(5) Uani 1 1 d . . . . .
H17 H 0.894431 0.734013 0.590585 0.039 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
O28 C5 1.214(2) . ?
N1 C2 1.320(2) . ?
N1 C9 1.360(2) . ?
C9 C8 1.394(3) . ?
C9 C18 1.486(2) . ?
N16 C21 1.338(3) . ?
N16 C17 1.342(3) . ?
C2 C6 1.393(2) . ?
C2 C3 1.499(2) . ?
C5 C6 1.493(2) . ?
C5 C4 1.513(3) . ?
C15 C14 1.388(3) . ?
C15 C10 1.404(3) . ?
C15 H15 0.9500 . ?
C3 C4 1.360(2) . ?
C3 C10 1.474(2) . ?
C18 C19 1.391(3) . ?
C18 C17 1.392(3) . ?
C6 C7 1.370(3) . ?
C7 C8 1.401(3) . ?
C7 H7 0.9500 . ?
C10 C11 1.403(3) . ?
C26 C25 1.525(3) . ?
C26 C27 1.531(3) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C4 C22 1.505(2) . ?
C19 C20 1.384(3) . ?
C19 H19 0.9500 . ?
C23 C24 1.536(3) . ?
C23 C22 1.541(3) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C11 C12 1.388(3) . ?
C11 H11 0.9500 . ?
C14 C13 1.390(3) . ?
C14 H14 0.9500 . ?
C12 C13 1.383(3) . ?
C12 H12 0.9500 . ?
C8 H8 0.9500 . ?
C20 C21 1.380(3) . ?
C20 H20 0.9500 . ?
C27 C22 1.540(3) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C24 C25 1.520(4) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C22 H22 1.0000 . ?
C21 H21 0.9500 . ?
C13 H13 0.9500 . ?
C17 H17 0.9500 . ?

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
C2 N1 C9 116.09(15) . . ?
N1 C9 C8 122.72(15) . . ?
N1 C9 C18 114.33(16) . . ?
C8 C9 C18 122.95(16) . . ?
C21 N16 C17 116.8(2) . . ?
N1 C2 C6 124.87(16) . . ?
N1 C2 C3 125.60(15) . . ?
C6 C2 C3 109.53(14) . . ?
O28 C5 C6 126.52(17) . . ?
O28 C5 C4 127.37(17) . . ?
C6 C5 C4 106.09(14) . . ?
C14 C15 C10 120.84(19) . . ?
C14 C15 H15 119.6 . . ?
C10 C15 H15 119.6 . . ?
C4 C3 C10 129.64(16) . . ?
C4 C3 C2 108.74(15) . . ?
C10 C3 C2 121.60(15) . . ?
C19 C18 C17 117.63(17) . . ?
C19 C18 C9 120.29(17) . . ?
C17 C18 C9 122.05(18) . . ?
C7 C6 C2 119.44(16) . . ?
C7 C6 C5 133.46(16) . . ?
C2 C6 C5 107.09(15) . . ?
C6 C7 C8 117.18(16) . . ?
C6 C7 H7 121.4 . . ?
C8 C7 H7 121.4 . . ?
C11 C10 C15 118.28(17) . . ?
C11 C10 C3 120.38(17) . . ?
C15 C10 C3 121.31(17) . . ?
C25 C26 C27 110.88(19) . . ?
C25 C26 H26A 109.5 . . ?
C27 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
C27 C26 H26B 109.5 . . ?
H26A C26 H26B 108.1 . . ?
C3 C4 C22 129.32(16) . . ?
C3 C4 C5 108.49(15) . . ?
C22 C4 C5 122.19(15) . . ?
C20 C19 C18 119.5(2) . . ?
C20 C19 H19 120.3 . . ?
C18 C19 H19 120.3 . . ?
C24 C23 C22 110.33(17) . . ?
C24 C23 H23A 109.6 . . ?
C22 C23 H23A 109.6 . . ?
C24 C23 H23B 109.6 . . ?
C22 C23 H23B 109.6 . . ?
H23A C23 H23B 108.1 . . ?
C12 C11 C10 120.59(19) . . ?
C12 C11 H11 119.7 . . ?
C10 C11 H11 119.7 . . ?
C15 C14 C13 119.9(2) . . ?
C15 C14 H14 120.0 . . ?
C13 C14 H14 120.0 . . ?
C13 C12 C11 120.33(19) . . ?
C13 C12 H12 119.8 . . ?
C11 C12 H12 119.8 . . ?
C9 C8 C7 119.66(16) . . ?
C9 C8 H8 120.2 . . ?
C7 C8 H8 120.2 . . ?
C21 C20 C19 118.2(2) . . ?
C21 C20 H20 120.9 . . ?
C19 C20 H20 120.9 . . ?
C26 C27 C22 111.62(19) . . ?
C26 C27 H27A 109.3 . . ?
C22 C27 H27A 109.3 . . ?
C26 C27 H27B 109.3 . . ?
C22 C27 H27B 109.3 . . ?
H27A C27 H27B 108.0 . . ?
C25 C24 C23 110.76(18) . . ?
C25 C24 H24A 109.5 . . ?
C23 C24 H24A 109.5 . . ?
C25 C24 H24B 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 108.1 . . ?
C24 C25 C26 110.79(15) . . ?
C24 C25 H25A 109.5 . . ?
C26 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
C26 C25 H25B 109.5 . . ?
H25A C25 H25B 108.1 . . ?
C4 C22 C27 110.49(19) . . ?
C4 C22 C23 112.83(18) . . ?
C27 C22 C23 109.91(15) . . ?
C4 C22 H22 107.8 . . ?
C27 C22 H22 107.8 . . ?
C23 C22 H22 107.8 . . ?
N16 C21 C20 124.10(18) . . ?
N16 C21 H21 118.0 . . ?
C20 C21 H21 118.0 . . ?
C12 C13 C14 120.03(19) . . ?
C12 C13 H13 120.0 . . ?
C14 C13 H13 120.0 . . ?
N16 C17 C18 123.8(2) . . ?
N16 C17 H17 118.1 . . ?
C18 C17 H17 118.1 . . ?

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
C2 N1 C9 C8 1.8(3) . . . . ?
C2 N1 C9 C18 -178.2(2) . . . . ?
C9 N1 C2 C6 -0.7(4) . . . . ?
C9 N1 C2 C3 179.6(2) . . . . ?
N1 C2 C3 C4 -178.6(2) . . . . ?
C6 C2 C3 C4 1.6(3) . . . . ?
N1 C2 C3 C10 3.0(4) . . . . ?
C6 C2 C3 C10 -176.8(2) . . . . ?
N1 C9 C18 C19 -16.5(3) . . . . ?
C8 C9 C18 C19 163.6(2) . . . . ?
N1 C9 C18 C17 161.5(2) . . . . ?
C8 C9 C18 C17 -18.4(4) . . . . ?
N1 C2 C6 C7 -0.9(4) . . . . ?
C3 C2 C6 C7 178.9(2) . . . . ?
N1 C2 C6 C5 -179.9(2) . . . . ?
C3 C2 C6 C5 -0.1(3) . . . . ?
O28 C5 C6 C7 -1.5(5) . . . . ?
C4 C5 C6 C7 179.9(3) . . . . ?
O28 C5 C6 C2 177.3(3) . . . . ?
C4 C5 C6 C2 -1.2(3) . . . . ?
C2 C6 C7 C8 1.3(4) . . . . ?
C5 C6 C7 C8 -179.9(3) . . . . ?
C14 C15 C10 C11 -1.1(3) . . . . ?
C14 C15 C10 C3 -179.4(2) . . . . ?
C4 C3 C10 C11 145.0(2) . . . . ?
C2 C3 C10 C11 -37.0(3) . . . . ?
C4 C3 C10 C15 -36.7(3) . . . . ?
C2 C3 C10 C15 141.3(2) . . . . ?
C10 C3 C4 C22 -3.5(4) . . . . ?
C2 C3 C4 C22 178.2(2) . . . . ?
C10 C3 C4 C5 175.9(2) . . . . ?
C2 C3 C4 C5 -2.4(3) . . . . ?
O28 C5 C4 C3 -176.3(3) . . . . ?
C6 C5 C4 C3 2.3(3) . . . . ?
O28 C5 C4 C22 3.2(4) . . . . ?
C6 C5 C4 C22 -178.3(2) . . . . ?
C17 C18 C19 C20 0.1(4) . . . . ?
C9 C18 C19 C20 178.2(2) . . . . ?
C15 C10 C11 C12 1.3(3) . . . . ?
C3 C10 C11 C12 179.68(19) . . . . ?
C10 C15 C14 C13 0.5(3) . . . . ?
C10 C11 C12 C13 -1.1(3) . . . . ?
N1 C9 C8 C7 -1.3(4) . . . . ?
C18 C9 C8 C7 178.6(2) . . . . ?
C6 C7 C8 C9 -0.3(4) . . . . ?
C18 C19 C20 C21 -0.2(4) . . . . ?
C25 C26 C27 C22 -55.7(2) . . . . ?
C22 C23 C24 C25 58.3(2) . . . . ?
C23 C24 C25 C26 -58.0(2) . . . . ?
C27 C26 C25 C24 56.4(2) . . . . ?
C3 C4 C22 C27 108.2(3) . . . . ?
C5 C4 C22 C27 -71.2(3) . . . . ?
C3 C4 C22 C23 -128.3(3) . . . . ?
C5 C4 C22 C23 52.3(3) . . . . ?
C26 C27 C22 C4 -179.07(17) . . . . ?
C26 C27 C22 C23 55.8(2) . . . . ?
C24 C23 C22 C4 179.54(17) . . . . ?
C24 C23 C22 C27 -56.7(2) . . . . ?
C17 N16 C21 C20 -0.1(4) . . . . ?
C19 C20 C21 N16 0.3(4) . . . . ?
C11 C12 C13 C14 0.5(3) . . . . ?
C15 C14 C13 C12 -0.2(3) . . . . ?
C21 N16 C17 C18 0.0(4) . . . . ?
C19 C18 C17 N16 0.1(4) . . . . ?
C9 C18 C17 N16 -178.0(3) . . . . ?

_refine_diff_density_max         0.246
_refine_diff_density_min         -0.215
_refine_diff_density_rms         0.047



