# Supplementary Information (SI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# 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_s
_database_code_depnum_ccdc_archive 'CCDC 2394900'
loop_
_audit_author_name
_audit_author_address
Frank
;china west
China
;
_audit_update_record             
;
2024-10-30 deposited with the CCDC.	2025-02-06 downloaded from the CCDC.
;
_audit_creation_date             2024-07-17
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2019/2
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C30 H24 N2 O'
_chemical_formula_sum            'C30 H24 N2 O'
_chemical_formula_weight         428.51
_chemical_melting_point          ?
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'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   39.3453(15)
_cell_length_b                   6.1691(2)
_cell_length_c                   22.6081(9)
_cell_angle_alpha                90
_cell_angle_beta                 116.888(2)
_cell_angle_gamma                90
_cell_volume                     4894.3(3)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9860
_cell_measurement_temperature    237.00
_cell_measurement_theta_max      68.300
_cell_measurement_theta_min      2.518
_shelx_estimated_absorpt_T_max   0.947
_shelx_estimated_absorpt_T_min   0.852
_exptl_absorpt_coefficient_mu    0.550
_exptl_absorpt_correction_T_max  0.7531
_exptl_absorpt_correction_T_min  0.5979
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1061 before and 0.0674 after correction.
The Ratio of minimum to maximum transmission is 0.7939.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.163
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1808
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0520
_diffrn_reflns_av_unetI/netI     0.0326
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       46
_diffrn_reflns_limit_h_min       -46
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            36235
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         68.332
_diffrn_reflns_theta_min         3.947
_diffrn_ambient_temperature      237.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_diffrn_source_current           50.0
_diffrn_source_power             2.5
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3806
_reflns_number_total             4481
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/2 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.163
_refine_diff_density_min         -0.146
_refine_diff_density_rms         0.030
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     298
_refine_ls_number_reflns         4481
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0415
_refine_ls_R_factor_gt           0.0345
_refine_ls_restrained_S_all      1.056
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0429P)²+1.6583P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0899
_refine_ls_wR_factor_ref         0.0951
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C005(H00A,H00B), C00D(H00C,H00D)
2.b Aromatic/amide H refined with riding coordinates:
 C00E(H00E), C00F(H00F), C00G(H00G), C00H(H00H), C00I(H00I), C00J(H00J),
 C00K(H00K), C00L(H00L), C00M(H00M), C00N(H00N), C00O(H00O), C00P(H00P),
 C00Q(H00Q), C00R(H00R), C00S(H00S), C00T(H00T), C00U(H00U), C00V(H00V),
 C00X(H00X), C00Y(H00Y)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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
O001 O 0.39943(3) 0.91524(15) 0.61582(5) 0.0583(3) Uani 1 1 d . . . . .
N002 N 0.40402(3) 0.46243(17) 0.79866(5) 0.0400(2) Uani 1 1 d . . . . .
N003 N 0.36685(3) 0.51418(17) 0.75372(5) 0.0416(2) Uani 1 1 d . . . . .
C004 C 0.47308(3) 0.4382(2) 0.82487(6) 0.0383(3) Uani 1 1 d . . . . .
C005 C 0.41779(3) 0.41792(19) 0.70331(5) 0.0378(3) Uani 1 1 d . . . . .
H00A H 0.401972 0.287548 0.694114 0.045 Uiso 1 1 calc R U . . .
H00B H 0.436955 0.403127 0.687124 0.045 Uiso 1 1 calc R U . . .
C006 C 0.43363(3) 0.50147(19) 0.77528(6) 0.0370(3) Uani 1 1 d . . . . .
C007 C 0.39473(3) 0.63550(18) 0.68311(6) 0.0378(3) Uani 1 1 d . . . . .
C008 C 0.40561(3) 0.2728(2) 0.83617(6) 0.0401(3) Uani 1 1 d . . . . .
C009 C 0.36137(3) 0.60574(19) 0.69887(6) 0.0392(3) Uani 1 1 d . . . . .
C00A C 0.36746(3) 0.6048(2) 0.55507(6) 0.0413(3) Uani 1 1 d . . . . .
C00B C 0.32211(3) 0.6808(2) 0.65477(6) 0.0438(3) Uani 1 1 d . . . . .
C00C C 0.38722(3) 0.7345(2) 0.61708(6) 0.0415(3) Uani 1 1 d . . . . .
C00D C 0.42724(3) 0.73378(19) 0.74644(6) 0.0401(3) Uani 1 1 d . . . . .
H00C H 0.448576 0.791430 0.740108 0.048 Uiso 1 1 calc R U . . .
H00D H 0.418669 0.837835 0.769624 0.048 Uiso 1 1 calc R U . . .
C00E C 0.48756(3) 0.2354(2) 0.82192(6) 0.0425(3) Uani 1 1 d . . . . .
H00E H 0.472505 0.137689 0.788339 0.051 Uiso 1 1 calc R U . . .
C00F C 0.37726(4) 0.1156(2) 0.81039(6) 0.0456(3) Uani 1 1 d . . . . .
H00F H 0.356986 0.133537 0.767704 0.055 Uiso 1 1 calc R U . . .
C00G C 0.49604(4) 0.5818(2) 0.87414(6) 0.0472(3) Uani 1 1 d . . . . .
H00G H 0.486819 0.720389 0.876524 0.057 Uiso 1 1 calc R U . . .
C00H C 0.35116(3) 0.4038(2) 0.55379(6) 0.0445(3) Uani 1 1 d . . . . .
H00H H 0.351134 0.349351 0.592603 0.053 Uiso 1 1 calc R U . . .
C00I C 0.43484(4) 0.2460(2) 0.90016(6) 0.0486(3) Uani 1 1 d . . . . .
H00I H 0.453450 0.354359 0.919349 0.058 Uiso 1 1 calc R U . . .
C00J C 0.52392(4) 0.1753(2) 0.86786(7) 0.0501(3) Uani 1 1 d . . . . .
H00J H 0.533314 0.036921 0.865705 0.060 Uiso 1 1 calc R U . . .
C00K C 0.31494(4) 0.8824(2) 0.62427(7) 0.0531(3) Uani 1 1 d . . . . .
H00K H 0.335427 0.974626 0.631193 0.064 Uiso 1 1 calc R U . . .
C00L C 0.36674(4) 0.6839(3) 0.49665(7) 0.0537(3) Uani 1 1 d . . . . .
H00L H 0.377305 0.820410 0.496415 0.064 Uiso 1 1 calc R U . . .
C00M C 0.54629(4) 0.3187(3) 0.91671(6) 0.0533(3) Uani 1 1 d . . . . .
H00M H 0.570967 0.278235 0.947966 0.064 Uiso 1 1 calc R U . . .
C00N C 0.53247(4) 0.5215(3) 0.91973(7) 0.0545(3) Uani 1 1 d . . . . .
H00N H 0.547841 0.619500 0.952922 0.065 Uiso 1 1 calc R U . . .
C00O C 0.33495(4) 0.2831(2) 0.49599(7) 0.0540(3) Uani 1 1 d . . . . .
H00O H 0.324113 0.147038 0.495703 0.065 Uiso 1 1 calc R U . . .
C00P C 0.37863(4) -0.0670(2) 0.84704(7) 0.0547(3) Uani 1 1 d . . . . .
H00P H 0.359020 -0.170538 0.829497 0.066 Uiso 1 1 calc R U . . .
C00Q C 0.43652(4) 0.0593(3) 0.93559(7) 0.0575(4) Uani 1 1 d . . . . .
H00Q H 0.456866 0.039502 0.978094 0.069 Uiso 1 1 calc R U . . .
C00R C 0.29130(4) 0.5484(3) 0.64403(8) 0.0583(4) Uani 1 1 d . . . . .
H00R H 0.295500 0.411897 0.664595 0.070 Uiso 1 1 calc R U . . .
C00S C 0.40862(5) -0.0976(2) 0.90911(8) 0.0596(4) Uani 1 1 d . . . . .
H00S H 0.410068 -0.224365 0.933222 0.072 Uiso 1 1 calc R U . . .
C00T C 0.33474(4) 0.3626(3) 0.43891(7) 0.0631(4) Uani 1 1 d . . . . .
H00T H 0.323795 0.280551 0.399643 0.076 Uiso 1 1 calc R U . . .
C00U C 0.35058(4) 0.5624(3) 0.43927(7) 0.0653(4) Uani 1 1 d . . . . .
H00U H 0.350347 0.616074 0.400175 0.078 Uiso 1 1 calc R U . . .
C00V C 0.27803(4) 0.9495(3) 0.58380(8) 0.0653(4) Uani 1 1 d . . . . .
H00V H 0.273565 1.086857 0.563672 0.078 Uiso 1 1 calc R U . . .
C00X C 0.24780(4) 0.8149(4) 0.57300(8) 0.0727(5) Uani 1 1 d . . . . .
H00X H 0.222728 0.859253 0.545000 0.087 Uiso 1 1 calc R U . . .
C00Y C 0.25447(4) 0.6161(3) 0.60327(9) 0.0740(5) Uani 1 1 d . . . . .
H00Y H 0.233846 0.524909 0.596289 0.089 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
O001 C00C 1.2193(15) . ?
N002 N003 1.3889(13) . ?
N002 C006 1.5004(14) . ?
N002 C008 1.4294(16) . ?
N003 C009 1.2891(16) . ?
C004 C006 1.4980(16) . ?
C004 C00E 1.3890(18) . ?
C004 C00G 1.3897(17) . ?
C005 H00A 0.9800 . ?
C005 H00B 0.9800 . ?
C005 C006 1.5441(16) . ?
C005 C007 1.5679(16) . ?
C006 C00D 1.5472(17) . ?
C007 C009 1.5187(15) . ?
C007 C00C 1.5133(17) . ?
C007 C00D 1.5482(16) . ?
C008 C00F 1.3916(18) . ?
C008 C00I 1.3923(18) . ?
C009 C00B 1.4839(17) . ?
C00A C00C 1.4917(18) . ?
C00A C00H 1.3902(18) . ?
C00A C00L 1.3964(18) . ?
C00B C00K 1.388(2) . ?
C00B C00R 1.3887(19) . ?
C00D H00C 0.9800 . ?
C00D H00D 0.9800 . ?
C00E H00E 0.9400 . ?
C00E C00J 1.3853(18) . ?
C00F H00F 0.9400 . ?
C00F C00P 1.3850(19) . ?
C00G H00G 0.9400 . ?
C00G C00N 1.3850(19) . ?
C00H H00H 0.9400 . ?
C00H C00O 1.3839(19) . ?
C00I H00I 0.9400 . ?
C00I C00Q 1.387(2) . ?
C00J H00J 0.9400 . ?
C00J C00M 1.378(2) . ?
C00K H00K 0.9400 . ?
C00K C00V 1.384(2) . ?
C00L H00L 0.9400 . ?
C00L C00U 1.380(2) . ?
C00M H00M 0.9400 . ?
C00M C00N 1.378(2) . ?
C00N H00N 0.9400 . ?
C00O H00O 0.9400 . ?
C00O C00T 1.377(2) . ?
C00P H00P 0.9400 . ?
C00P C00S 1.378(2) . ?
C00Q H00Q 0.9400 . ?
C00Q C00S 1.381(2) . ?
C00R H00R 0.9400 . ?
C00R C00Y 1.384(2) . ?
C00S H00S 0.9400 . ?
C00T H00T 0.9400 . ?
C00T C00U 1.380(3) . ?
C00U H00U 0.9400 . ?
C00V H00V 0.9400 . ?
C00V C00X 1.379(3) . ?
C00X H00X 0.9400 . ?
C00X C00Y 1.371(3) . ?
C00Y H00Y 0.9400 . ?

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
N003 N002 C006 115.72(9) . . ?
N003 N002 C008 111.77(9) . . ?
C008 N002 C006 120.52(9) . . ?
C009 N003 N002 117.84(9) . . ?
C00E C004 C006 120.50(11) . . ?
C00E C004 C00G 118.71(11) . . ?
C00G C004 C006 120.79(11) . . ?
H00A C005 H00B 111.5 . . ?
C006 C005 H00A 114.4 . . ?
C006 C005 H00B 114.4 . . ?
C006 C005 C007 85.75(8) . . ?
C007 C005 H00A 114.4 . . ?
C007 C005 H00B 114.4 . . ?
N002 C006 C005 108.05(9) . . ?
N002 C006 C00D 107.04(9) . . ?
C004 C006 N002 113.65(9) . . ?
C004 C006 C005 119.31(9) . . ?
C004 C006 C00D 118.21(9) . . ?
C005 C006 C00D 87.36(9) . . ?
C009 C007 C005 106.01(9) . . ?
C009 C007 C00D 105.70(9) . . ?
C00C C007 C005 117.52(9) . . ?
C00C C007 C009 118.44(10) . . ?
C00C C007 C00D 117.72(10) . . ?
C00D C007 C005 86.49(8) . . ?
C00F C008 N002 120.68(11) . . ?
C00F C008 C00I 118.78(12) . . ?
C00I C008 N002 120.50(11) . . ?
N003 C009 C007 119.50(10) . . ?
N003 C009 C00B 116.97(10) . . ?
C00B C009 C007 123.52(10) . . ?
C00H C00A C00C 122.52(11) . . ?
C00H C00A C00L 118.71(12) . . ?
C00L C00A C00C 118.71(12) . . ?
C00K C00B C009 121.96(11) . . ?
C00K C00B C00R 118.36(12) . . ?
C00R C00B C009 119.68(12) . . ?
O001 C00C C007 119.28(11) . . ?
O001 C00C C00A 120.80(11) . . ?
C00A C00C C007 119.78(10) . . ?
C006 C00D C007 86.32(8) . . ?
C006 C00D H00C 114.3 . . ?
C006 C00D H00D 114.3 . . ?
C007 C00D H00C 114.3 . . ?
C007 C00D H00D 114.3 . . ?
H00C C00D H00D 111.4 . . ?
C004 C00E H00E 119.6 . . ?
C00J C00E C004 120.81(12) . . ?
C00J C00E H00E 119.6 . . ?
C008 C00F H00F 119.7 . . ?
C00P C00F C008 120.63(13) . . ?
C00P C00F H00F 119.7 . . ?
C004 C00G H00G 119.9 . . ?
C00N C00G C004 120.29(13) . . ?
C00N C00G H00G 119.9 . . ?
C00A C00H H00H 119.6 . . ?
C00O C00H C00A 120.72(12) . . ?
C00O C00H H00H 119.6 . . ?
C008 C00I H00I 120.0 . . ?
C00Q C00I C008 119.99(13) . . ?
C00Q C00I H00I 120.0 . . ?
C00E C00J H00J 120.1 . . ?
C00M C00J C00E 119.86(13) . . ?
C00M C00J H00J 120.1 . . ?
C00B C00K H00K 119.6 . . ?
C00V C00K C00B 120.87(14) . . ?
C00V C00K H00K 119.6 . . ?
C00A C00L H00L 119.9 . . ?
C00U C00L C00A 120.19(14) . . ?
C00U C00L H00L 119.9 . . ?
C00J C00M H00M 120.0 . . ?
C00J C00M C00N 119.96(12) . . ?
C00N C00M H00M 120.0 . . ?
C00G C00N H00N 119.8 . . ?
C00M C00N C00G 120.36(13) . . ?
C00M C00N H00N 119.8 . . ?
C00H C00O H00O 120.1 . . ?
C00T C00O C00H 119.88(15) . . ?
C00T C00O H00O 120.1 . . ?
C00F C00P H00P 119.9 . . ?
C00S C00P C00F 120.29(14) . . ?
C00S C00P H00P 119.9 . . ?
C00I C00Q H00Q 119.6 . . ?
C00S C00Q C00I 120.73(14) . . ?
C00S C00Q H00Q 119.6 . . ?
C00B C00R H00R 119.8 . . ?
C00Y C00R C00B 120.50(16) . . ?
C00Y C00R H00R 119.8 . . ?
C00P C00S C00Q 119.47(14) . . ?
C00P C00S H00S 120.3 . . ?
C00Q C00S H00S 120.3 . . ?
C00O C00T H00T 120.0 . . ?
C00O C00T C00U 120.09(14) . . ?
C00U C00T H00T 120.0 . . ?
C00L C00U C00T 120.40(13) . . ?
C00L C00U H00U 119.8 . . ?
C00T C00U H00U 119.8 . . ?
C00K C00V H00V 120.0 . . ?
C00X C00V C00K 120.02(16) . . ?
C00X C00V H00V 120.0 . . ?
C00V C00X H00X 120.2 . . ?
C00Y C00X C00V 119.69(14) . . ?
C00Y C00X H00X 120.2 . . ?
C00R C00Y H00Y 119.7 . . ?
C00X C00Y C00R 120.56(16) . . ?
C00X C00Y H00Y 119.7 . . ?

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
N002 N003 C009 C007 5.15(16) . . . . ?
N002 N003 C009 C00B -173.69(10) . . . . ?
N002 C006 C00D C007 -79.95(9) . . . . ?
N002 C008 C00F C00P -179.38(11) . . . . ?
N002 C008 C00I C00Q -178.71(11) . . . . ?
N003 N002 C006 C004 -178.62(10) . . . . ?
N003 N002 C006 C005 -43.81(13) . . . . ?
N003 N002 C006 C00D 49.01(12) . . . . ?
N003 N002 C008 C00F 26.49(14) . . . . ?
N003 N002 C008 C00I -151.17(11) . . . . ?
N003 C009 C00B C00K 135.42(13) . . . . ?
N003 C009 C00B C00R -43.57(17) . . . . ?
C004 C006 C00D C007 150.22(10) . . . . ?
C004 C00E C00J C00M -0.77(18) . . . . ?
C004 C00G C00N C00M 0.0(2) . . . . ?
C005 C006 C00D C007 28.13(8) . . . . ?
C005 C007 C009 N003 42.77(14) . . . . ?
C005 C007 C009 C00B -138.47(11) . . . . ?
C005 C007 C00C O001 -119.53(12) . . . . ?
C005 C007 C00C C00A 56.19(14) . . . . ?
C005 C007 C00D C006 -27.69(8) . . . . ?
C006 N002 N003 C009 -5.34(15) . . . . ?
C006 N002 C008 C00F -114.58(12) . . . . ?
C006 N002 C008 C00I 67.76(14) . . . . ?
C006 C004 C00E C00J -179.59(11) . . . . ?
C006 C004 C00G C00N 179.98(11) . . . . ?
C006 C005 C007 C009 -77.55(9) . . . . ?
C006 C005 C007 C00C 147.35(10) . . . . ?
C006 C005 C007 C00D 27.77(8) . . . . ?
C007 C005 C006 N002 79.30(9) . . . . ?
C007 C005 C006 C004 -148.88(10) . . . . ?
C007 C005 C006 C00D -27.77(8) . . . . ?
C007 C009 C00B C00K -43.37(17) . . . . ?
C007 C009 C00B C00R 137.64(13) . . . . ?
C008 N002 N003 C009 -148.42(11) . . . . ?
C008 N002 C006 C004 -38.99(14) . . . . ?
C008 N002 C006 C005 95.83(12) . . . . ?
C008 N002 C006 C00D -171.35(9) . . . . ?
C008 C00F C00P C00S -1.41(19) . . . . ?
C008 C00I C00Q C00S -2.5(2) . . . . ?
C009 C007 C00C O001 110.98(13) . . . . ?
C009 C007 C00C C00A -73.30(14) . . . . ?
C009 C007 C00D C006 77.96(9) . . . . ?
C009 C00B C00K C00V -179.42(12) . . . . ?
C009 C00B C00R C00Y 179.73(14) . . . . ?
C00A C00H C00O C00T -0.32(19) . . . . ?
C00A C00L C00U C00T 0.5(2) . . . . ?
C00B C00K C00V C00X -0.4(2) . . . . ?
C00B C00R C00Y C00X -0.2(2) . . . . ?
C00C C007 C009 N003 177.37(11) . . . . ?
C00C C007 C009 C00B -3.87(17) . . . . ?
C00C C007 C00D C006 -147.09(10) . . . . ?
C00C C00A C00H C00O -176.35(11) . . . . ?
C00C C00A C00L C00U 176.39(12) . . . . ?
C00D C007 C009 N003 -48.06(14) . . . . ?
C00D C007 C009 C00B 130.70(11) . . . . ?
C00D C007 C00C O001 -18.24(16) . . . . ?
C00D C007 C00C C00A 157.49(10) . . . . ?
C00E C004 C006 N002 95.05(12) . . . . ?
C00E C004 C006 C005 -34.28(16) . . . . ?
C00E C004 C006 C00D -138.23(11) . . . . ?
C00E C004 C00G C00N -0.80(18) . . . . ?
C00E C00J C00M C00N -0.05(19) . . . . ?
C00F C008 C00I C00Q 3.59(18) . . . . ?
C00F C00P C00S C00Q 2.6(2) . . . . ?
C00G C004 C006 N002 -85.75(13) . . . . ?
C00G C004 C006 C005 144.92(11) . . . . ?
C00G C004 C006 C00D 40.97(15) . . . . ?
C00G C004 C00E C00J 1.19(17) . . . . ?
C00H C00A C00C O001 -176.07(11) . . . . ?
C00H C00A C00C C007 8.27(16) . . . . ?
C00H C00A C00L C00U -0.91(18) . . . . ?
C00H C00O C00T C00U -0.1(2) . . . . ?
C00I C008 C00F C00P -1.67(18) . . . . ?
C00I C00Q C00S C00P -0.6(2) . . . . ?
C00J C00M C00N C00G 0.4(2) . . . . ?
C00K C00B C00R C00Y 0.7(2) . . . . ?
C00K C00V C00X C00Y 1.0(2) . . . . ?
C00L C00A C00C O001 6.75(17) . . . . ?
C00L C00A C00C C007 -168.91(11) . . . . ?
C00L C00A C00H C00O 0.83(18) . . . . ?
C00O C00T C00U C00L 0.1(2) . . . . ?
C00R C00B C00K C00V -0.4(2) . . . . ?
C00V C00X C00Y C00R -0.7(3) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.250 -0.773 0.250 144.1 41.8 ?
2 0.250 -0.815 0.750 144.1 41.8 ?
3 0.750 -0.021 0.250 144.1 41.8 ?
4 0.750 -0.272 0.750 144.1 41.8 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
