# Electronic Supplementary Material (ESI) for Organic Chemistry Frontiers.
# This journal is © the Partner Organisations 2024

####################################################################### 
# 
# 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_r20221011b
_database_code_depnum_ccdc_archive 'CCDC 2286479'
loop_
_audit_author_name
_audit_author_address
'Ma Yue'
;Hebei University of Technology
China
;
_audit_update_record             
;
2023-08-03 deposited with the CCDC.	2023-12-27 downloaded from the CCDC.
;
_audit_creation_date             2022-10-14
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C26 H20 N2 O'
_chemical_formula_sum            'C26 H20 N2 O'
_chemical_formula_weight         376.44
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C11 H10 N O'
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'

_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           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
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                   7.1920(5)
_cell_length_b                   14.8145(7)
_cell_length_c                   18.9231(12)
_cell_angle_alpha                90
_cell_angle_beta                 96.550(6)
_cell_angle_gamma                90
_cell_volume                     2003.0(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    7738
_cell_measurement_temperature    294.15
_cell_measurement_theta_max      31.7100
_cell_measurement_theta_min      2.7290
_shelx_estimated_absorpt_T_max   0.986
_shelx_estimated_absorpt_T_min   0.981
_exptl_absorpt_coefficient_mu    0.077
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.57377
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.248
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             792
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.19
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0499
_diffrn_reflns_av_unetI/netI     0.0391
_diffrn_reflns_Laue_measured_fraction_full 0.986
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            17109
_diffrn_reflns_point_group_measured_fraction_full 0.986
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.367
_diffrn_reflns_theta_min         2.750
_diffrn_ambient_temperature      294.15
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -115.00  65.00   1.00    3.00    --  -25.00  45.00   0.00  180
  2  ω   -115.00  35.00   1.00    3.00    --  -25.00  45.00  90.00  150
  3  ω   -115.00   5.00   1.00    3.00    --  -25.00  45.00 180.00  120
;
_diffrn_measurement_device       'abstract diffractometer'
_diffrn_measurement_device_type  'Rigaku mm007 Saturn70'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0081129000
_diffrn_orient_matrix_UB_12      0.0447119000
_diffrn_orient_matrix_UB_13      -0.0134089000
_diffrn_orient_matrix_UB_21      -0.0157992000
_diffrn_orient_matrix_UB_22      -0.0170990000
_diffrn_orient_matrix_UB_23      -0.0351702000
_diffrn_orient_matrix_UB_31      -0.0976956000
_diffrn_orient_matrix_UB_32      -0.0009645000
_diffrn_orient_matrix_UB_33      0.0024373000
_diffrn_radiation_monochromator  confocal
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'rotating anode'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3060
_reflns_number_total             4036
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.155
_refine_diff_density_min         -0.136
_refine_diff_density_rms         0.027
_refine_ls_extinction_coef       0.073(10)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     265
_refine_ls_number_reflns         4036
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0669
_refine_ls_R_factor_gt           0.0465
_refine_ls_restrained_S_all      1.036
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0504P)²+0.2951P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1063
_refine_ls_wR_factor_ref         0.1168
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C9(H9)
2.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C6(H6), C11(H11), C12(H12), C13(H13), C14(H14),
 C18(H18), C20(H20), C22(H22), C23(H23), C25(H25)
2.c Idealised Me refined as rotating group:
 C16(H16A,H16B,H16C), C26(H26A,H26B,H26C)
;
_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
O1 O 0.35546(16) 0.64900(9) 0.86239(7) 0.0758(4) Uani 1 1 d . . . . .
N1 N 0.65530(16) 0.59879(8) 0.89786(6) 0.0439(3) Uani 1 1 d . . . . .
N2 N 1.02891(19) 0.62018(10) 0.66199(8) 0.0614(4) Uani 1 1 d . . . . .
C1 C 0.5246(2) 0.65995(10) 0.86817(8) 0.0498(4) Uani 1 1 d . . . . .
C2 C 0.6323(2) 0.73658(9) 0.84386(7) 0.0451(4) Uani 1 1 d . . . . .
C3 C 0.5684(3) 0.81691(11) 0.81136(9) 0.0633(5) Uani 1 1 d . . . . .
H3 H 0.441113 0.829175 0.802262 0.076 Uiso 1 1 calc R U . . .
C4 C 0.6995(3) 0.87733(12) 0.79321(10) 0.0743(6) Uani 1 1 d . . . . .
H4 H 0.660452 0.931164 0.770989 0.089 Uiso 1 1 calc R U . . .
C5 C 0.8889(3) 0.85951(11) 0.80743(11) 0.0725(6) Uani 1 1 d . . . . .
H5 H 0.974899 0.902337 0.795768 0.087 Uiso 1 1 calc R U . . .
C6 C 0.9528(2) 0.77929(10) 0.83863(9) 0.0561(4) Uani 1 1 d . . . . .
H6 H 1.080196 0.767292 0.847791 0.067 Uiso 1 1 calc R U . . .
C7 C 0.82100(19) 0.71744(9) 0.85580(7) 0.0410(3) Uani 1 1 d . . . . .
C8 C 0.85032(19) 0.62557(8) 0.88967(7) 0.0393(3) Uani 1 1 d . . . . .
C9 C 0.9182(2) 0.54661(8) 0.84320(8) 0.0416(3) Uani 1 1 d . . . . .
H9 H 1.050604 0.533523 0.857653 0.050 Uiso 1 1 calc R U . . .
C10 C 0.7974(2) 0.46950(9) 0.86452(7) 0.0455(4) Uani 1 1 d . . . . .
C11 C 0.8167(3) 0.37697(10) 0.85617(8) 0.0580(5) Uani 1 1 d . . . . .
H11 H 0.920953 0.353465 0.837737 0.070 Uiso 1 1 calc R U . . .
C12 C 0.6787(3) 0.32039(11) 0.87566(10) 0.0730(6) Uani 1 1 d . . . . .
H12 H 0.690645 0.258285 0.870570 0.088 Uiso 1 1 calc R U . . .
C13 C 0.5240(3) 0.35498(13) 0.90251(10) 0.0765(6) Uani 1 1 d . . . . .
H13 H 0.431536 0.315660 0.914275 0.092 Uiso 1 1 calc R U . . .
C14 C 0.5019(3) 0.44729(12) 0.91259(9) 0.0646(5) Uani 1 1 d . . . . .
H14 H 0.398028 0.470437 0.931545 0.078 Uiso 1 1 calc R U . . .
C15 C 0.6420(2) 0.50295(10) 0.89301(8) 0.0470(4) Uani 1 1 d . . . . .
C16 C 0.9684(2) 0.63021(10) 0.96174(8) 0.0547(4) Uani 1 1 d . . . . .
H16A H 0.915310 0.673667 0.991288 0.082 Uiso 1 1 calc R U . . .
H16B H 1.093750 0.647888 0.955247 0.082 Uiso 1 1 calc R U . . .
H16C H 0.970569 0.571991 0.984104 0.082 Uiso 1 1 calc R U . . .
C17 C 0.8869(2) 0.56684(8) 0.76427(7) 0.0406(3) Uani 1 1 d . . . . .
C18 C 0.7161(2) 0.56205(9) 0.72475(7) 0.0412(3) Uani 1 1 d . . . . .
H18 H 0.612950 0.541769 0.745720 0.049 Uiso 1 1 calc R U . . .
C19 C 0.6943(2) 0.58757(9) 0.65234(7) 0.0422(4) Uani 1 1 d . . . . .
C20 C 0.5214(2) 0.58680(10) 0.60872(8) 0.0500(4) Uani 1 1 d . . . . .
H20 H 0.414222 0.568850 0.628139 0.060 Uiso 1 1 calc R U . . .
C21 C 0.5070(3) 0.61181(11) 0.53842(9) 0.0584(4) Uani 1 1 d . . . . .
C22 C 0.6720(3) 0.63838(13) 0.51051(10) 0.0741(6) Uani 1 1 d . . . . .
H22 H 0.665199 0.654843 0.462862 0.089 Uiso 1 1 calc R U . . .
C23 C 0.8397(3) 0.64073(13) 0.55066(10) 0.0723(5) Uani 1 1 d . . . . .
H23 H 0.945290 0.659000 0.530305 0.087 Uiso 1 1 calc R U . . .
C24 C 0.8568(2) 0.61586(10) 0.62303(9) 0.0519(4) Uani 1 1 d . . . . .
C25 C 1.0386(2) 0.59722(10) 0.72926(9) 0.0519(4) Uani 1 1 d . . . . .
H25 H 1.154913 0.601269 0.756130 0.062 Uiso 1 1 calc R U . . .
C26 C 0.3226(3) 0.61355(14) 0.49197(10) 0.0813(6) Uani 1 1 d . . . . .
H26A H 0.230872 0.580844 0.514801 0.122 Uiso 1 1 calc R U . . .
H26B H 0.336966 0.585993 0.446997 0.122 Uiso 1 1 calc R U . . .
H26C H 0.282306 0.674940 0.484482 0.122 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
O1 C1 1.2199(18) . ?
N1 C1 1.3783(19) . ?
N1 C8 1.4826(18) . ?
N1 C15 1.4252(18) . ?
N2 C24 1.368(2) . ?
N2 C25 1.312(2) . ?
C1 C2 1.477(2) . ?
C2 C3 1.393(2) . ?
C2 C7 1.380(2) . ?
C3 H3 0.9300 . ?
C3 C4 1.372(3) . ?
C4 H4 0.9300 . ?
C4 C5 1.383(3) . ?
C5 H5 0.9300 . ?
C5 C6 1.382(2) . ?
C6 H6 0.9300 . ?
C6 C7 1.383(2) . ?
C7 C8 1.5089(18) . ?
C8 C9 1.5740(19) . ?
C8 C16 1.524(2) . ?
C9 H9 0.9800 . ?
C9 C10 1.5173(19) . ?
C9 C17 1.5149(19) . ?
C10 C11 1.389(2) . ?
C10 C15 1.386(2) . ?
C11 H11 0.9300 . ?
C11 C12 1.381(2) . ?
C12 H12 0.9300 . ?
C12 C13 1.374(3) . ?
C13 H13 0.9300 . ?
C13 C14 1.392(3) . ?
C14 H14 0.9300 . ?
C14 C15 1.385(2) . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 C18 1.365(2) . ?
C17 C25 1.413(2) . ?
C18 H18 0.9300 . ?
C18 C19 1.4128(19) . ?
C19 C20 1.412(2) . ?
C19 C24 1.413(2) . ?
C20 H20 0.9300 . ?
C20 C21 1.373(2) . ?
C21 C22 1.409(3) . ?
C21 C26 1.506(3) . ?
C22 H22 0.9300 . ?
C22 C23 1.351(3) . ?
C23 H23 0.9300 . ?
C23 C24 1.410(2) . ?
C25 H25 0.9300 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 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
C1 N1 C8 113.00(12) . . ?
C1 N1 C15 126.23(12) . . ?
C15 N1 C8 108.49(11) . . ?
C25 N2 C24 117.10(14) . . ?
O1 C1 N1 125.16(15) . . ?
O1 C1 C2 128.84(15) . . ?
N1 C1 C2 105.96(12) . . ?
C3 C2 C1 129.50(15) . . ?
C7 C2 C1 109.39(12) . . ?
C7 C2 C3 121.09(15) . . ?
C2 C3 H3 121.1 . . ?
C4 C3 C2 117.80(16) . . ?
C4 C3 H3 121.1 . . ?
C3 C4 H4 119.5 . . ?
C3 C4 C5 121.09(16) . . ?
C5 C4 H4 119.5 . . ?
C4 C5 H5 119.4 . . ?
C6 C5 C4 121.28(17) . . ?
C6 C5 H5 119.4 . . ?
C5 C6 H6 121.1 . . ?
C5 C6 C7 117.81(16) . . ?
C7 C6 H6 121.1 . . ?
C2 C7 C6 120.87(13) . . ?
C2 C7 C8 110.00(12) . . ?
C6 C7 C8 129.11(13) . . ?
N1 C8 C7 101.41(10) . . ?
N1 C8 C9 102.52(10) . . ?
N1 C8 C16 110.84(12) . . ?
C7 C8 C9 118.05(11) . . ?
C7 C8 C16 112.10(11) . . ?
C16 C8 C9 110.91(11) . . ?
C8 C9 H9 110.2 . . ?
C10 C9 C8 100.82(11) . . ?
C10 C9 H9 110.2 . . ?
C17 C9 C8 112.53(10) . . ?
C17 C9 H9 110.2 . . ?
C17 C9 C10 112.71(11) . . ?
C11 C10 C9 130.18(14) . . ?
C15 C10 C9 110.21(12) . . ?
C15 C10 C11 119.51(14) . . ?
C10 C11 H11 120.5 . . ?
C12 C11 C10 118.99(17) . . ?
C12 C11 H11 120.5 . . ?
C11 C12 H12 119.7 . . ?
C13 C12 C11 120.61(16) . . ?
C13 C12 H12 119.7 . . ?
C12 C13 H13 119.1 . . ?
C12 C13 C14 121.81(17) . . ?
C14 C13 H13 119.1 . . ?
C13 C14 H14 121.6 . . ?
C15 C14 C13 116.74(18) . . ?
C15 C14 H14 121.6 . . ?
C10 C15 N1 109.27(12) . . ?
C14 C15 N1 128.42(15) . . ?
C14 C15 C10 122.32(15) . . ?
C8 C16 H16A 109.5 . . ?
C8 C16 H16B 109.5 . . ?
C8 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C18 C17 C9 123.56(12) . . ?
C18 C17 C25 117.03(13) . . ?
C25 C17 C9 119.31(13) . . ?
C17 C18 H18 119.6 . . ?
C17 C18 C19 120.70(13) . . ?
C19 C18 H18 119.6 . . ?
C18 C19 C24 117.05(14) . . ?
C20 C19 C18 123.90(13) . . ?
C20 C19 C24 119.05(14) . . ?
C19 C20 H20 119.1 . . ?
C21 C20 C19 121.88(15) . . ?
C21 C20 H20 119.1 . . ?
C20 C21 C22 117.71(16) . . ?
C20 C21 C26 122.28(17) . . ?
C22 C21 C26 119.99(17) . . ?
C21 C22 H22 118.9 . . ?
C23 C22 C21 122.18(17) . . ?
C23 C22 H22 118.9 . . ?
C22 C23 H23 119.6 . . ?
C22 C23 C24 120.87(17) . . ?
C24 C23 H23 119.6 . . ?
N2 C24 C19 122.70(14) . . ?
N2 C24 C23 119.00(15) . . ?
C23 C24 C19 118.30(16) . . ?
N2 C25 C17 125.39(15) . . ?
N2 C25 H25 117.3 . . ?
C17 C25 H25 117.3 . . ?
C21 C26 H26A 109.5 . . ?
C21 C26 H26B 109.5 . . ?
C21 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 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
O1 C1 C2 C3 3.2(3) . . . . ?
O1 C1 C2 C7 -174.73(16) . . . . ?
N1 C1 C2 C3 -178.76(15) . . . . ?
N1 C1 C2 C7 3.27(16) . . . . ?
N1 C8 C9 C10 -27.95(12) . . . . ?
N1 C8 C9 C17 92.36(13) . . . . ?
C1 N1 C8 C7 4.80(14) . . . . ?
C1 N1 C8 C9 -117.62(12) . . . . ?
C1 N1 C8 C16 123.97(12) . . . . ?
C1 N1 C15 C10 123.83(15) . . . . ?
C1 N1 C15 C14 -56.4(2) . . . . ?
C1 C2 C3 C4 -179.34(15) . . . . ?
C1 C2 C7 C6 -178.97(13) . . . . ?
C1 C2 C7 C8 -0.29(15) . . . . ?
C2 C3 C4 C5 -0.7(3) . . . . ?
C2 C7 C8 N1 -2.54(14) . . . . ?
C2 C7 C8 C9 108.44(14) . . . . ?
C2 C7 C8 C16 -120.81(14) . . . . ?
C3 C2 C7 C6 2.9(2) . . . . ?
C3 C2 C7 C8 -178.46(13) . . . . ?
C3 C4 C5 C6 1.8(3) . . . . ?
C4 C5 C6 C7 -0.5(3) . . . . ?
C5 C6 C7 C2 -1.8(2) . . . . ?
C5 C6 C7 C8 179.84(15) . . . . ?
C6 C7 C8 N1 176.00(14) . . . . ?
C6 C7 C8 C9 -73.03(19) . . . . ?
C6 C7 C8 C16 57.7(2) . . . . ?
C7 C2 C3 C4 -1.6(2) . . . . ?
C7 C8 C9 C10 -138.31(12) . . . . ?
C7 C8 C9 C17 -17.99(17) . . . . ?
C8 N1 C1 O1 172.98(14) . . . . ?
C8 N1 C1 C2 -5.12(15) . . . . ?
C8 N1 C15 C10 -15.27(15) . . . . ?
C8 N1 C15 C14 164.54(15) . . . . ?
C8 C9 C10 C11 -162.97(15) . . . . ?
C8 C9 C10 C15 20.64(14) . . . . ?
C8 C9 C17 C18 -76.16(16) . . . . ?
C8 C9 C17 C25 100.21(14) . . . . ?
C9 C10 C11 C12 -175.25(15) . . . . ?
C9 C10 C15 N1 -4.50(16) . . . . ?
C9 C10 C15 C14 175.68(13) . . . . ?
C9 C17 C18 C19 175.77(12) . . . . ?
C9 C17 C25 N2 -177.35(14) . . . . ?
C10 C9 C17 C18 37.04(17) . . . . ?
C10 C9 C17 C25 -146.60(13) . . . . ?
C10 C11 C12 C13 0.4(3) . . . . ?
C11 C10 C15 N1 178.66(13) . . . . ?
C11 C10 C15 C14 -1.2(2) . . . . ?
C11 C12 C13 C14 -1.4(3) . . . . ?
C12 C13 C14 C15 1.1(3) . . . . ?
C13 C14 C15 N1 -179.62(15) . . . . ?
C13 C14 C15 C10 0.2(2) . . . . ?
C15 N1 C1 O1 35.4(2) . . . . ?
C15 N1 C1 C2 -142.69(13) . . . . ?
C15 N1 C8 C7 149.78(11) . . . . ?
C15 N1 C8 C9 27.36(13) . . . . ?
C15 N1 C8 C16 -91.04(13) . . . . ?
C15 C10 C11 C12 0.9(2) . . . . ?
C16 C8 C9 C10 90.41(13) . . . . ?
C16 C8 C9 C17 -149.28(12) . . . . ?
C17 C9 C10 C11 76.84(19) . . . . ?
C17 C9 C10 C15 -99.56(14) . . . . ?
C17 C18 C19 C20 -178.18(13) . . . . ?
C17 C18 C19 C24 1.41(19) . . . . ?
C18 C17 C25 N2 -0.7(2) . . . . ?
C18 C19 C20 C21 -179.69(14) . . . . ?
C18 C19 C24 N2 -0.9(2) . . . . ?
C18 C19 C24 C23 179.28(14) . . . . ?
C19 C20 C21 C22 0.2(2) . . . . ?
C19 C20 C21 C26 -178.36(15) . . . . ?
C20 C19 C24 N2 178.74(14) . . . . ?
C20 C19 C24 C23 -1.1(2) . . . . ?
C20 C21 C22 C23 -0.8(3) . . . . ?
C21 C22 C23 C24 0.4(3) . . . . ?
C22 C23 C24 N2 -179.27(17) . . . . ?
C22 C23 C24 C19 0.6(3) . . . . ?
C24 N2 C25 C17 1.3(2) . . . . ?
C24 C19 C20 C21 0.7(2) . . . . ?
C25 N2 C24 C19 -0.4(2) . . . . ?
C25 N2 C24 C23 179.42(15) . . . . ?
C25 C17 C18 C19 -0.68(19) . . . . ?
C26 C21 C22 C23 177.83(18) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- Detector area scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.362
_oxdiff_exptl_absorpt_empirical_full_min 0.654
