# 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_M
_database_code_depnum_ccdc_archive 'CCDC 2063061'
loop_
_audit_author_name
_audit_author_address
'yanhui cui'
;Tianjin University
China
;
_audit_update_record             
;
2021-02-15 deposited with the CCDC.	2021-02-19 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C27 H22 N2 O4'
_chemical_formula_weight         438.47

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 0.0000 '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 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   5.3407(11)
_cell_length_b                   12.745(3)
_cell_length_c                   18.872(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 92.51(3)
_cell_angle_gamma                90.00
_cell_volume                     1283.3(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    113(2)
_cell_measurement_reflns_used    3144
_cell_measurement_theta_min      1.9287
_cell_measurement_theta_max      27.9304

_exptl_crystal_description       Prism
_exptl_crystal_colour            Colorless
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.12
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.135
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             460
_exptl_absorpt_coefficient_mu    0.077
_exptl_absorpt_correction_type   MULTI-SCAN
_exptl_absorpt_correction_T_min  0.9848
_exptl_absorpt_correction_T_max  0.9908
_exptl_absorpt_process_details   Crystalclear

_exptl_special_details           
; 
???? 
;

_diffrn_ambient_temperature      113(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_monochromator  multilayer
_diffrn_measurement_device_type  'Rigaku Saturn 70 CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 7.31
_diffrn_standards_number         0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_decay_%        0
_diffrn_reflns_number            13159
_diffrn_reflns_av_R_equivalents  0.0732
_diffrn_reflns_av_sigmaI/netI    0.0762
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         2.16
_diffrn_reflns_theta_max         27.85
_reflns_number_total             3160
_reflns_number_gt                2341
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       Crystalclear
_computing_cell_refinement       Crystalclear
_computing_data_reduction        Crystalclear
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1089P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.105(11)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_abs_structure_details 'None, Friedel Pairs merged'
_refine_ls_abs_structure_Flack   ?
_refine_ls_number_reflns         3160
_refine_ls_number_parameters     276
_refine_ls_number_restraints     37
_refine_ls_R_factor_all          0.0915
_refine_ls_R_factor_gt           0.0709
_refine_ls_wR_factor_ref         0.1968
_refine_ls_wR_factor_gt          0.1819
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_restrained_S_all      1.064
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
O1 O 0.7982(6) 0.7376(2) 0.88794(18) 0.0413(8) Uani 1 1 d . . .
O2 O 0.8894(5) 0.4279(2) 1.00898(15) 0.0315(7) Uani 1 1 d . . .
O3 O 0.3553(5) 0.6039(2) 1.01950(14) 0.0275(7) Uani 1 1 d . . .
O4 O 0.2323(6) 0.4586(3) 1.14302(16) 0.0375(8) Uani 1 1 d . . .
H4 H 0.1850 0.3958 1.1449 0.056 Uiso 1 1 calc R . .
N1 N 0.8484(6) 0.5703(3) 0.93461(17) 0.0265(8) Uani 1 1 d . . .
C1 C 0.4594(7) 0.4643(3) 1.1065(2) 0.0298(9) Uani 1 1 d . . .
H1A H 0.4491 0.4171 1.0648 0.036 Uiso 1 1 calc R . .
H1B H 0.6009 0.4408 1.1382 0.036 Uiso 1 1 calc R . .
C2 C 0.5052(8) 0.5749(3) 1.0826(2) 0.0326(10) Uani 1 1 d . . .
C3 C 0.4427(8) 0.6623(3) 1.1333(2) 0.0317(10) Uani 1 1 d . . .
H3 H 0.4410 0.6582 1.1835 0.038 Uiso 1 1 calc R . .
C4 C 0.3908(8) 0.7460(4) 1.0933(2) 0.0297(9) Uani 1 1 d . . .
H4A H 0.3392 0.8133 1.1087 0.036 Uiso 1 1 calc R . .
C5 C 0.4313(7) 0.7114(3) 1.0176(2) 0.0304(9) Uani 1 1 d . . .
H5 H 0.3454 0.7551 0.9798 0.037 Uiso 1 1 calc R . .
C6 C 0.7235(8) 0.7012(3) 1.0126(2) 0.0301(9) Uani 1 1 d . . .
H6 H 0.8166 0.7630 1.0330 0.036 Uiso 1 1 calc R . .
C7 C 0.7910(8) 0.6765(3) 0.9382(2) 0.0309(9) Uani 1 1 d . . .
C8 C 0.8484(7) 0.5202(3) 0.9990(2) 0.0263(9) Uani 1 1 d . . .
C9 C 0.7725(8) 0.5996(3) 1.0554(2) 0.0289(9) Uani 1 1 d . . .
H9 H 0.9025 0.6083 1.0948 0.035 Uiso 1 1 calc R . .
C10 C 0.9102(8) 0.5172(3) 0.8689(2) 0.0320(10) Uani 1 1 d . . .
C11 C 1.1178(8) 0.4565(4) 0.8677(2) 0.0330(10) Uani 1 1 d . . .
H11 H 1.2237 0.4490 0.9091 0.040 Uiso 1 1 calc R . .
C12 C 1.1757(9) 0.4048(4) 0.8051(2) 0.0376(11) Uani 1 1 d . . .
H12 H 1.3212 0.3621 0.8040 0.045 Uiso 1 1 calc R . .
C13 C 1.0185(10) 0.4162(4) 0.7441(2) 0.0372(11) Uani 1 1 d . . .
C14 C 0.8085(10) 0.4782(4) 0.7471(2) 0.0428(12) Uani 1 1 d . . .
H14 H 0.7015 0.4867 0.7059 0.051 Uiso 1 1 calc R . .
C15 C 0.7508(9) 0.5289(4) 0.8100(3) 0.0373(11) Uani 1 1 d . . .
H15 H 0.6041 0.5707 0.8121 0.045 Uiso 1 1 calc R . .
C16 C 1.1652(7) 0.2587(2) 0.68403(18) 0.0451(12) Uani 1 1 d G . .
C17 C 1.3679(7) 0.2252(3) 0.64618(19) 0.0664(17) Uani 1 1 d G . .
H17 H 1.4556 0.2737 0.6182 0.080 Uiso 1 1 calc R . .
C18 C 1.4423(7) 0.1207(3) 0.6493(2) 0.082(2) Uani 1 1 d G . .
H18 H 1.5809 0.0979 0.6234 0.098 Uiso 1 1 calc R . .
C19 C 1.3141(9) 0.0497(2) 0.6902(2) 0.083(2) Uani 1 1 d G . .
H19 H 1.3649 -0.0217 0.6923 0.099 Uiso 1 1 calc R . .
C20 C 1.1113(8) 0.0832(2) 0.7281(2) 0.0583(15) Uani 1 1 d G . .
H20 H 1.0237 0.0346 0.7561 0.070 Uiso 1 1 calc R . .
C21 C 1.0369(6) 0.1876(3) 0.72498(17) 0.0458(12) Uani 1 1 d G . .
H21 H 0.8984 0.2105 0.7509 0.055 Uiso 1 1 calc R . .
N2 N 1.0789(9) 0.3652(4) 0.68064(19) 0.0472(11) Uani 1 1 d . . .
C22 C 1.0546(10) 0.4184(4) 0.61483(19) 0.0659(18) Uani 1 1 d GU . .
C23 C 0.9586(11) 0.3682(4) 0.5542(2) 0.088(2) Uani 1 1 d GU . .
H23 H 0.9074 0.2969 0.5564 0.106 Uiso 1 1 calc R . .
C24 C 0.9375(14) 0.4222(5) 0.4902(2) 0.121(3) Uani 1 1 d GU . .
H24 H 0.8719 0.3879 0.4487 0.145 Uiso 1 1 calc R . .
C25 C 1.0124(15) 0.5265(5) 0.4869(2) 0.127(4) Uani 1 1 d GU . .
H25 H 0.9980 0.5634 0.4432 0.153 Uiso 1 1 calc R . .
C26 C 1.1084(13) 0.5767(4) 0.5476(3) 0.104(3) Uani 1 1 d GU . .
H26 H 1.1596 0.6480 0.5453 0.124 Uiso 1 1 calc R . .
C27 C 1.1295(11) 0.5227(4) 0.6115(2) 0.086(2) Uani 1 1 d GU . .
H27 H 1.1951 0.5570 0.6530 0.103 Uiso 1 1 calc R . .


_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 C7 1.229(5) . ?
O2 C8 1.210(5) . ?
O3 C5 1.430(5) . ?
O3 C2 1.453(5) . ?
O4 C1 1.423(5) . ?
O4 H4 0.8400 . ?
N1 C8 1.373(5) . ?
N1 C7 1.390(5) . ?
N1 C10 1.463(5) . ?
C1 C2 1.503(6) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 C3 1.516(6) . ?
C2 C9 1.569(6) . ?
C3 C4 1.329(6) . ?
C3 H3 0.9500 . ?
C4 C5 1.519(6) . ?
C4 H4A 0.9500 . ?
C5 C6 1.572(6) . ?
C5 H5 1.0000 . ?
C6 C7 1.499(6) . ?
C6 C9 1.542(6) . ?
C6 H6 1.0000 . ?
C8 C9 1.536(6) . ?
C9 H9 1.0000 . ?
C10 C11 1.354(6) . ?
C10 C15 1.378(6) . ?
C11 C12 1.398(6) . ?
C11 H11 0.9500 . ?
C12 C13 1.403(6) . ?
C12 H12 0.9500 . ?
C13 C14 1.375(7) . ?
C13 N2 1.412(6) . ?
C14 C15 1.398(6) . ?
C14 H14 0.9500 . ?
C15 H15 0.9500 . ?
C16 C17 1.3900 . ?
C16 C21 1.3900 . ?
C16 N2 1.434(5) . ?
C17 C18 1.3900 . ?
C17 H17 0.9500 . ?
C18 C19 1.3900 . ?
C18 H18 0.9500 . ?
C19 C20 1.3900 . ?
C19 H19 0.9500 . ?
C20 C21 1.3900 . ?
C20 H20 0.9500 . ?
C21 H21 0.9500 . ?
N2 C22 1.416(5) . ?
C22 C23 1.3900 . ?
C22 C27 1.3900 . ?
C23 C24 1.3900 . ?
C23 H23 0.9500 . ?
C24 C25 1.3900 . ?
C24 H24 0.9500 . ?
C25 C26 1.3900 . ?
C25 H25 0.9500 . ?
C26 C27 1.3900 . ?
C26 H26 0.9500 . ?
C27 H27 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
C5 O3 C2 96.7(3) . . ?
C1 O4 H4 109.5 . . ?
C8 N1 C7 113.7(3) . . ?
C8 N1 C10 123.0(3) . . ?
C7 N1 C10 123.3(3) . . ?
O4 C1 C2 110.3(4) . . ?
O4 C1 H1A 109.6 . . ?
C2 C1 H1A 109.6 . . ?
O4 C1 H1B 109.6 . . ?
C2 C1 H1B 109.6 . . ?
H1A C1 H1B 108.1 . . ?
O3 C2 C1 113.1(3) . . ?
O3 C2 C3 101.6(3) . . ?
C1 C2 C3 117.2(4) . . ?
O3 C2 C9 99.1(3) . . ?
C1 C2 C9 116.7(4) . . ?
C3 C2 C9 106.7(3) . . ?
C4 C3 C2 106.2(4) . . ?
C4 C3 H3 126.9 . . ?
C2 C3 H3 126.9 . . ?
C3 C4 C5 105.4(4) . . ?
C3 C4 H4A 127.3 . . ?
C5 C4 H4A 127.3 . . ?
O3 C5 C4 101.7(3) . . ?
O3 C5 C6 101.8(3) . . ?
C4 C5 C6 105.2(3) . . ?
O3 C5 H5 115.4 . . ?
C4 C5 H5 115.4 . . ?
C6 C5 H5 115.4 . . ?
C7 C6 C9 105.8(3) . . ?
C7 C6 C5 110.7(3) . . ?
C9 C6 C5 100.6(3) . . ?
C7 C6 H6 112.9 . . ?
C9 C6 H6 112.9 . . ?
C5 C6 H6 112.9 . . ?
O1 C7 N1 124.4(4) . . ?
O1 C7 C6 127.4(4) . . ?
N1 C7 C6 108.2(3) . . ?
O2 C8 N1 125.6(4) . . ?
O2 C8 C9 125.8(4) . . ?
N1 C8 C9 108.5(3) . . ?
C8 C9 C6 103.5(3) . . ?
C8 C9 C2 111.4(3) . . ?
C6 C9 C2 101.7(3) . . ?
C8 C9 H9 113.1 . . ?
C6 C9 H9 113.1 . . ?
C2 C9 H9 113.1 . . ?
C11 C10 C15 121.7(4) . . ?
C11 C10 N1 119.6(4) . . ?
C15 C10 N1 118.7(4) . . ?
C10 C11 C12 119.7(4) . . ?
C10 C11 H11 120.1 . . ?
C12 C11 H11 120.1 . . ?
C11 C12 C13 119.9(4) . . ?
C11 C12 H12 120.1 . . ?
C13 C12 H12 120.1 . . ?
C14 C13 C12 119.1(4) . . ?
C14 C13 N2 121.1(4) . . ?
C12 C13 N2 119.8(4) . . ?
C13 C14 C15 120.7(4) . . ?
C13 C14 H14 119.6 . . ?
C15 C14 H14 119.6 . . ?
C10 C15 C14 118.9(4) . . ?
C10 C15 H15 120.5 . . ?
C14 C15 H15 120.5 . . ?
C17 C16 C21 120.0 . . ?
C17 C16 N2 121.6(3) . . ?
C21 C16 N2 118.4(3) . . ?
C16 C17 C18 120.0 . . ?
C16 C17 H17 120.0 . . ?
C18 C17 H17 120.0 . . ?
C19 C18 C17 120.0 . . ?
C19 C18 H18 120.0 . . ?
C17 C18 H18 120.0 . . ?
C18 C19 C20 120.0 . . ?
C18 C19 H19 120.0 . . ?
C20 C19 H19 120.0 . . ?
C21 C20 C19 120.0 . . ?
C21 C20 H20 120.0 . . ?
C19 C20 H20 120.0 . . ?
C20 C21 C16 120.0 . . ?
C20 C21 H21 120.0 . . ?
C16 C21 H21 120.0 . . ?
C13 N2 C22 120.5(4) . . ?
C13 N2 C16 118.9(3) . . ?
C22 N2 C16 120.6(4) . . ?
C23 C22 C27 120.0 . . ?
C23 C22 N2 121.2(4) . . ?
C27 C22 N2 118.8(4) . . ?
C22 C23 C24 120.0 . . ?
C22 C23 H23 120.0 . . ?
C24 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 . . ?

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
C5 O3 C2 C1 175.2(4) . . . . ?
C5 O3 C2 C3 48.7(4) . . . . ?
C5 O3 C2 C9 -60.5(3) . . . . ?
O4 C1 C2 O3 -78.1(4) . . . . ?
O4 C1 C2 C3 39.6(5) . . . . ?
O4 C1 C2 C9 167.8(3) . . . . ?
O3 C2 C3 C4 -29.5(4) . . . . ?
C1 C2 C3 C4 -153.3(4) . . . . ?
C9 C2 C3 C4 73.8(4) . . . . ?
C2 C3 C4 C5 -2.2(4) . . . . ?
C2 O3 C5 C4 -50.1(4) . . . . ?
C2 O3 C5 C6 58.4(4) . . . . ?
C3 C4 C5 O3 33.8(4) . . . . ?
C3 C4 C5 C6 -72.1(4) . . . . ?
O3 C5 C6 C7 79.3(4) . . . . ?
C4 C5 C6 C7 -175.0(4) . . . . ?
O3 C5 C6 C9 -32.3(4) . . . . ?
C4 C5 C6 C9 73.5(4) . . . . ?
C8 N1 C7 O1 174.5(4) . . . . ?
C10 N1 C7 O1 -3.8(6) . . . . ?
C8 N1 C7 C6 -5.0(5) . . . . ?
C10 N1 C7 C6 176.7(3) . . . . ?
C9 C6 C7 O1 -174.0(4) . . . . ?
C5 C6 C7 O1 77.8(5) . . . . ?
C9 C6 C7 N1 5.5(4) . . . . ?
C5 C6 C7 N1 -102.6(4) . . . . ?
C7 N1 C8 O2 178.9(4) . . . . ?
C10 N1 C8 O2 -2.7(6) . . . . ?
C7 N1 C8 C9 2.2(4) . . . . ?
C10 N1 C8 C9 -179.4(3) . . . . ?
O2 C8 C9 C6 -175.3(4) . . . . ?
N1 C8 C9 C6 1.4(4) . . . . ?
O2 C8 C9 C2 -66.7(5) . . . . ?
N1 C8 C9 C2 110.0(4) . . . . ?
C7 C6 C9 C8 -4.1(4) . . . . ?
C5 C6 C9 C8 111.2(3) . . . . ?
C7 C6 C9 C2 -119.8(3) . . . . ?
C5 C6 C9 C2 -4.5(4) . . . . ?
O3 C2 C9 C8 -70.6(4) . . . . ?
C1 C2 C9 C8 51.1(5) . . . . ?
C3 C2 C9 C8 -175.7(3) . . . . ?
O3 C2 C9 C6 39.2(4) . . . . ?
C1 C2 C9 C6 160.9(3) . . . . ?
C3 C2 C9 C6 -66.0(4) . . . . ?
C8 N1 C10 C11 -48.0(6) . . . . ?
C7 N1 C10 C11 130.2(5) . . . . ?
C8 N1 C10 C15 130.6(4) . . . . ?
C7 N1 C10 C15 -51.2(6) . . . . ?
C15 C10 C11 C12 0.8(7) . . . . ?
N1 C10 C11 C12 179.3(4) . . . . ?
C10 C11 C12 C13 0.0(7) . . . . ?
C11 C12 C13 C14 -0.2(7) . . . . ?
C11 C12 C13 N2 179.1(5) . . . . ?
C12 C13 C14 C15 -0.3(8) . . . . ?
N2 C13 C14 C15 -179.7(5) . . . . ?
C11 C10 C15 C14 -1.3(7) . . . . ?
N1 C10 C15 C14 -179.9(4) . . . . ?
C13 C14 C15 C10 1.1(8) . . . . ?
C21 C16 C17 C18 0.0 . . . . ?
N2 C16 C17 C18 -178.3(4) . . . . ?
C16 C17 C18 C19 0.0 . . . . ?
C17 C18 C19 C20 0.0 . . . . ?
C18 C19 C20 C21 0.0 . . . . ?
C19 C20 C21 C16 0.0 . . . . ?
C17 C16 C21 C20 0.0 . . . . ?
N2 C16 C21 C20 178.4(4) . . . . ?
C14 C13 N2 C22 42.4(7) . . . . ?
C12 C13 N2 C22 -136.9(5) . . . . ?
C14 C13 N2 C16 -137.6(5) . . . . ?
C12 C13 N2 C16 43.1(7) . . . . ?
C17 C16 N2 C13 -135.9(4) . . . . ?
C21 C16 N2 C13 45.7(6) . . . . ?
C17 C16 N2 C22 44.1(6) . . . . ?
C21 C16 N2 C22 -134.3(4) . . . . ?
C13 N2 C22 C23 -139.2(5) . . . . ?
C16 N2 C22 C23 40.8(6) . . . . ?
C13 N2 C22 C27 41.0(6) . . . . ?
C16 N2 C22 C27 -139.0(4) . . . . ?
C27 C22 C23 C24 0.0 . . . . ?
N2 C22 C23 C24 -179.8(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 . . . . ?
N2 C22 C27 C26 179.8(5) . . . . ?

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.062 0.267 0.326 135 22 ' '
2 -0.122 0.767 0.674 135 22 ' '
_platon_squeeze_details          
;
;


_diffrn_measured_fraction_theta_max 0.995
_diffrn_reflns_theta_full        27.85
_diffrn_measured_fraction_theta_full 0.995
_refine_diff_density_max         0.284
_refine_diff_density_min         -0.320
_refine_diff_density_rms         0.063
