# Supplementary Information (SI) for Green Chemistry.
# This journal is © The Royal Society of Chemistry 2026

####################################################################### 
# 
# 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_bottle
_database_code_depnum_ccdc_archive 'CCDC 2267263'
loop_
_audit_author_name
_audit_author_address
'Ningbo Li'
;The Cambridge Crystallographic Data Centre 
China
;
_audit_update_record             
;
2023-06-03 deposited with the CCDC.	2025-12-02 downloaded from the CCDC.
;
_audit_creation_date             2023-06-02
_audit_creation_method           
;
Olex2 1.5-beta
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6439)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C21 H20 N2 O2'
_chemical_formula_sum            'C21 H20 N2 O2'
_chemical_formula_weight         332.39
_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           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   7.7577(2)
_cell_length_b                   9.9027(3)
_cell_length_c                   21.2760(5)
_cell_angle_alpha                90
_cell_angle_beta                 93.666(2)
_cell_angle_gamma                90
_cell_volume                     1631.12(8)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    4279
_cell_measurement_temperature    100.0(2)
_cell_measurement_theta_max      71.2470
_cell_measurement_theta_min      4.2220
_shelx_estimated_absorpt_T_max   0.933
_shelx_estimated_absorpt_T_min   0.908
_exptl_absorpt_coefficient_mu    0.700
_exptl_absorpt_correction_T_max  0.932
_exptl_absorpt_correction_T_min  0.907
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_density_diffrn    1.354
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             704
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1025
_diffrn_reflns_av_unetI/netI     0.1035
_diffrn_reflns_Laue_measured_fraction_full 0.985
_diffrn_reflns_Laue_measured_fraction_max 0.985
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            7708
_diffrn_reflns_point_group_measured_fraction_full 0.985
_diffrn_reflns_point_group_measured_fraction_max 0.985
_diffrn_reflns_theta_full        66.598
_diffrn_reflns_theta_max         66.598
_diffrn_reflns_theta_min         4.164
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.0(2)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 5.8140
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    100.00 132.00   0.50    0.50    --   42.10  77.00 120.00   64
  2  ω     80.00 130.00   0.50    0.50    --   42.10  77.00-120.00  100
  3  ω    -15.00  72.00   0.50    0.50    --   42.10 -57.00-180.00  174
  4  ω    -33.00  83.00   0.50    0.50    --   42.10 -82.00 150.00  232
  5  ω     40.00  84.00   0.50    0.50    --   42.10 -82.00-150.00   88
  6  ω     92.00 189.00   0.50    0.50    --  102.30  38.00   0.00  194
  7  ω    112.00 146.00   0.50    0.50    --  102.30 -38.00 -60.00   68
  8  ω     13.00  38.00   0.50    0.50    --  102.30 -82.00-180.00   50
  9  ω     19.00  48.00   0.50    0.50    --  102.30 -82.00  60.00   58
 10  ω     13.00  72.00   0.50    0.50    --  102.30 -38.00 -60.00  118
 11  ω     67.00 100.00   0.50    0.50    --  102.30 -82.00  60.00   66
 12  ω    112.00 137.00   0.50    0.50    --  102.30 -82.00  60.00   50
 13  ω     48.00  91.00   0.50    0.50    --  102.30 -82.00-120.00   86
 14  ω     15.00 120.00   0.50    0.50    --  102.30 -82.00  90.00  210
 15  ω     94.00 159.00   0.50    0.50    --  102.30  82.00  90.00  130
 16  ω     89.00 139.00   0.50    0.50    --  102.30  82.00 -90.00  100
 17  ω     52.00 145.00   0.50    0.50    --  102.30 -82.00-180.00  186
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0045179000
_diffrn_orient_matrix_UB_12      -0.1440062000
_diffrn_orient_matrix_UB_13      -0.0272370000
_diffrn_orient_matrix_UB_21      -0.0001355000
_diffrn_orient_matrix_UB_22      -0.0588199000
_diffrn_orient_matrix_UB_23      0.0670443000
_diffrn_orient_matrix_UB_31      -0.1989133000
_diffrn_orient_matrix_UB_32      -0.0030867000
_diffrn_orient_matrix_UB_33      -0.0053094000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2570
_reflns_number_total             2834
_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 1.171.41.93a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 1.5-beta (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-beta (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.481
_refine_diff_density_min         -0.496
_refine_diff_density_rms         0.222
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   2.225
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     226
_refine_ls_number_reflns         2834
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1078
_refine_ls_R_factor_gt           0.0846
_refine_ls_restrained_S_all      2.225
_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)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1799
_refine_ls_wR_factor_ref         0.2437
_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 Ternary CH refined with riding coordinates:
 C18(H18)
2.b Secondary CH2 refined with riding coordinates:
 C10(H10A,H10B), C11(H11A,H11B), C19(H19A,H19B), C20(H20A,H20B), C21(H21A,H21B)
2.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C13(H13), C14(H14), C15(H15), C16(H16),
 C17(H17)
;
_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 0.6795(4) 0.4358(4) 0.85122(15) 0.0326(10) Uani 1 1 d . . . . .
O2 O 0.5711(4) 0.2360(3) 0.82656(17) 0.0288(11) Uani 1 1 d . . . . .
N1 N 0.3965(4) 0.6104(4) 0.69861(17) 0.0258(11) Uani 1 1 d . . . . .
N2 N 0.3172(5) 0.3917(4) 0.65850(18) 0.0305(11) Uani 1 1 d . . . . .
C1 C 0.5964(5) 0.6392(5) 0.7926(2) 0.0254(12) Uani 1 1 d . . . . .
C2 C 0.5984(6) 0.7785(6) 0.7909(2) 0.0279(12) Uani 1 1 d . . . . .
H2 H 0.535414 0.824574 0.757671 0.034 Uiso 1 1 calc R U . . .
C3 C 0.6918(6) 0.8529(5) 0.8375(2) 0.0294(12) Uani 1 1 d . . . . .
H3 H 0.691963 0.948829 0.836221 0.035 Uiso 1 1 calc R U . . .
C4 C 0.7854(6) 0.7837(6) 0.8861(2) 0.0314(12) Uani 1 1 d . . . . .
H4 H 0.850126 0.833236 0.917704 0.038 Uiso 1 1 calc R U . . .
C5 C 0.7842(6) 0.6471(6) 0.8883(2) 0.0313(13) Uani 1 1 d . . . . .
H5 H 0.848624 0.600790 0.921120 0.038 Uiso 1 1 calc R U . . .
C6 C 0.6877(6) 0.5750(5) 0.8420(2) 0.0269(12) Uani 1 1 d . . . . .
C7 C 0.5729(6) 0.3540(5) 0.8124(2) 0.0286(12) Uani 1 1 d . . . . .
C8 C 0.4814(5) 0.4176(5) 0.7588(2) 0.0264(12) Uani 1 1 d . . . . .
C9 C 0.4934(5) 0.5516(5) 0.7484(2) 0.0256(11) Uani 1 1 d . . . . .
C10 C 0.3850(6) 0.3209(5) 0.7147(2) 0.0281(12) Uani 1 1 d . . . . .
H10A H 0.463542 0.247902 0.702662 0.034 Uiso 1 1 calc R U . . .
H10B H 0.288620 0.279431 0.736157 0.034 Uiso 1 1 calc R U . . .
C11 C 0.2560(6) 0.5244(5) 0.6744(2) 0.0278(12) Uani 1 1 d . . . . .
H11A H 0.169620 0.515937 0.706430 0.033 Uiso 1 1 calc R U . . .
H11B H 0.198569 0.566635 0.636403 0.033 Uiso 1 1 calc R U . . .
C12 C 0.2433(5) 0.3175(5) 0.6083(2) 0.0221(11) Uani 1 1 d . . . . .
C13 C 0.1681(6) 0.3821(5) 0.5544(2) 0.0278(12) Uani 1 1 d . . . . .
H13 H 0.158943 0.477812 0.553653 0.033 Uiso 1 1 calc R U . . .
C14 C 0.1072(5) 0.3083(5) 0.5023(2) 0.0261(12) Uani 1 1 d . . . . .
H14 H 0.060341 0.354294 0.465970 0.031 Uiso 1 1 calc R U . . .
C15 C 0.1132(5) 0.1687(5) 0.5023(2) 0.0265(12) Uani 1 1 d . . . . .
H15 H 0.069840 0.119213 0.466473 0.032 Uiso 1 1 calc R U . . .
C16 C 0.1838(6) 0.1014(5) 0.5555(2) 0.0289(12) Uani 1 1 d . . . . .
H16 H 0.188730 0.005543 0.556023 0.035 Uiso 1 1 calc R U . . .
C17 C 0.2477(6) 0.1758(5) 0.6085(2) 0.0256(12) Uani 1 1 d . . . . .
H17 H 0.294359 0.129367 0.644736 0.031 Uiso 1 1 calc R U . . .
C18 C 0.4831(6) 0.6951(5) 0.6527(2) 0.0289(12) Uani 1 1 d . . . . .
H18 H 0.596131 0.727573 0.672302 0.035 Uiso 1 1 calc R U . . .
C19 C 0.5104(7) 0.6401(5) 0.5849(2) 0.0360(13) Uani 1 1 d . . . . .
H19A H 0.630884 0.613990 0.577982 0.043 Uiso 1 1 calc R U . . .
H19B H 0.427806 0.568686 0.570415 0.043 Uiso 1 1 calc R U . . .
C20 C 0.4607(8) 0.7826(6) 0.5615(3) 0.0406(14) Uani 1 1 d . . . . .
H20A H 0.561394 0.839783 0.553181 0.049 Uiso 1 1 calc R U . . .
H20B H 0.375045 0.782938 0.524991 0.049 Uiso 1 1 calc R U . . .
C21 C 0.3824(6) 0.8148(5) 0.6241(2) 0.0338(13) Uani 1 1 d . . . . .
H21A H 0.418401 0.903175 0.642290 0.041 Uiso 1 1 calc R U . . .
H21B H 0.255445 0.803773 0.623021 0.041 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 C6 1.394(6) . ?
O1 C7 1.392(6) . ?
O2 C7 1.207(6) . ?
N1 C9 1.388(6) . ?
N1 C11 1.451(6) . ?
N1 C18 1.481(6) . ?
N2 C10 1.454(6) . ?
N2 C11 1.445(6) . ?
N2 C12 1.390(6) . ?
C1 C2 1.380(7) . ?
C1 C6 1.385(6) . ?
C1 C9 1.476(6) . ?
C2 H2 0.9500 . ?
C2 C3 1.399(7) . ?
C3 H3 0.9500 . ?
C3 C4 1.403(7) . ?
C4 H4 0.9500 . ?
C4 C5 1.354(7) . ?
C5 H5 0.9500 . ?
C5 C6 1.395(6) . ?
C7 C8 1.447(6) . ?
C8 C9 1.349(7) . ?
C8 C10 1.506(6) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 C13 1.408(6) . ?
C12 C17 1.404(8) . ?
C13 H13 0.9500 . ?
C13 C14 1.385(6) . ?
C14 H14 0.9500 . ?
C14 C15 1.383(8) . ?
C15 H15 0.9500 . ?
C15 C16 1.394(6) . ?
C16 H16 0.9500 . ?
C16 C17 1.409(6) . ?
C17 H17 0.9500 . ?
C18 H18 1.0000 . ?
C18 C19 1.568(6) . ?
C18 C21 1.525(7) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C19 C20 1.537(8) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C20 C21 1.531(7) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?

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
C7 O1 C6 121.5(4) . . ?
C9 N1 C11 112.5(4) . . ?
C9 N1 C18 119.6(3) . . ?
C11 N1 C18 117.4(4) . . ?
C11 N2 C10 110.7(4) . . ?
C12 N2 C10 119.1(4) . . ?
C12 N2 C11 122.3(4) . . ?
C2 C1 C6 118.2(4) . . ?
C2 C1 C9 125.3(4) . . ?
C6 C1 C9 116.3(4) . . ?
C1 C2 H2 119.5 . . ?
C1 C2 C3 120.9(4) . . ?
C3 C2 H2 119.5 . . ?
C2 C3 H3 120.5 . . ?
C2 C3 C4 119.0(5) . . ?
C4 C3 H3 120.5 . . ?
C3 C4 H4 119.7 . . ?
C5 C4 C3 120.7(4) . . ?
C5 C4 H4 119.7 . . ?
C4 C5 H5 120.3 . . ?
C4 C5 C6 119.4(4) . . ?
C6 C5 H5 120.3 . . ?
O1 C6 C5 115.8(4) . . ?
C1 C6 O1 122.3(4) . . ?
C1 C6 C5 121.8(5) . . ?
O1 C7 C8 117.2(4) . . ?
O2 C7 O1 115.5(4) . . ?
O2 C7 C8 127.3(4) . . ?
C7 C8 C10 114.4(4) . . ?
C9 C8 C7 121.5(4) . . ?
C9 C8 C10 124.0(4) . . ?
N1 C9 C1 119.0(4) . . ?
C8 C9 N1 119.9(4) . . ?
C8 C9 C1 120.9(4) . . ?
N2 C10 C8 110.2(4) . . ?
N2 C10 H10A 109.6 . . ?
N2 C10 H10B 109.6 . . ?
C8 C10 H10A 109.6 . . ?
C8 C10 H10B 109.6 . . ?
H10A C10 H10B 108.1 . . ?
N1 C11 H11A 109.3 . . ?
N1 C11 H11B 109.3 . . ?
N2 C11 N1 111.5(4) . . ?
N2 C11 H11A 109.3 . . ?
N2 C11 H11B 109.3 . . ?
H11A C11 H11B 108.0 . . ?
N2 C12 C13 121.0(4) . . ?
N2 C12 C17 121.2(4) . . ?
C17 C12 C13 117.7(4) . . ?
C12 C13 H13 119.5 . . ?
C14 C13 C12 120.9(5) . . ?
C14 C13 H13 119.5 . . ?
C13 C14 H14 119.4 . . ?
C15 C14 C13 121.2(4) . . ?
C15 C14 H14 119.4 . . ?
C14 C15 H15 120.4 . . ?
C14 C15 C16 119.3(4) . . ?
C16 C15 H15 120.4 . . ?
C15 C16 H16 120.0 . . ?
C15 C16 C17 119.9(4) . . ?
C17 C16 H16 120.0 . . ?
C12 C17 C16 120.9(4) . . ?
C12 C17 H17 119.6 . . ?
C16 C17 H17 119.6 . . ?
N1 C18 H18 109.2 . . ?
N1 C18 C19 120.2(4) . . ?
N1 C18 C21 117.5(4) . . ?
C19 C18 H18 109.2 . . ?
C21 C18 H18 109.2 . . ?
C21 C18 C19 89.9(4) . . ?
C18 C19 H19A 114.3 . . ?
C18 C19 H19B 114.3 . . ?
H19A C19 H19B 111.4 . . ?
C20 C19 C18 86.1(4) . . ?
C20 C19 H19A 114.3 . . ?
C20 C19 H19B 114.3 . . ?
C19 C20 H20A 113.5 . . ?
C19 C20 H20B 113.5 . . ?
H20A C20 H20B 110.8 . . ?
C21 C20 C19 90.9(4) . . ?
C21 C20 H20A 113.5 . . ?
C21 C20 H20B 113.5 . . ?
C18 C21 C20 87.9(4) . . ?
C18 C21 H21A 114.0 . . ?
C18 C21 H21B 114.0 . . ?
C20 C21 H21A 114.0 . . ?
C20 C21 H21B 114.0 . . ?
H21A C21 H21B 111.2 . . ?

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 C7 C8 C9 -2.6(7) . . . . ?
O1 C7 C8 C10 173.2(4) . . . . ?
O2 C7 C8 C9 179.5(5) . . . . ?
O2 C7 C8 C10 -4.6(7) . . . . ?
N1 C18 C19 C20 139.2(4) . . . . ?
N1 C18 C21 C20 -141.5(4) . . . . ?
N2 C12 C13 C14 174.7(4) . . . . ?
N2 C12 C17 C16 -175.3(4) . . . . ?
C1 C2 C3 C4 0.5(7) . . . . ?
C2 C1 C6 O1 173.5(4) . . . . ?
C2 C1 C6 C5 -2.0(6) . . . . ?
C2 C1 C9 N1 3.7(6) . . . . ?
C2 C1 C9 C8 -170.8(4) . . . . ?
C2 C3 C4 C5 -0.6(7) . . . . ?
C3 C4 C5 C6 -0.6(7) . . . . ?
C4 C5 C6 O1 -173.8(4) . . . . ?
C4 C5 C6 C1 1.9(7) . . . . ?
C6 O1 C7 O2 -176.9(4) . . . . ?
C6 O1 C7 C8 5.0(6) . . . . ?
C6 C1 C2 C3 0.8(6) . . . . ?
C6 C1 C9 N1 178.8(4) . . . . ?
C6 C1 C9 C8 4.3(6) . . . . ?
C7 O1 C6 C1 -2.7(6) . . . . ?
C7 O1 C6 C5 173.0(4) . . . . ?
C7 C8 C9 N1 -176.4(4) . . . . ?
C7 C8 C9 C1 -2.0(7) . . . . ?
C7 C8 C10 N2 -172.4(4) . . . . ?
C9 N1 C11 N2 -53.3(5) . . . . ?
C9 N1 C18 C19 106.2(5) . . . . ?
C9 N1 C18 C21 -146.3(4) . . . . ?
C9 C1 C2 C3 175.8(4) . . . . ?
C9 C1 C6 O1 -2.0(6) . . . . ?
C9 C1 C6 C5 -177.4(4) . . . . ?
C9 C8 C10 N2 3.4(6) . . . . ?
C10 N2 C11 N1 65.4(5) . . . . ?
C10 N2 C12 C13 176.7(4) . . . . ?
C10 N2 C12 C17 -6.2(6) . . . . ?
C10 C8 C9 N1 8.1(7) . . . . ?
C10 C8 C9 C1 -177.4(4) . . . . ?
C11 N1 C9 C1 -158.0(4) . . . . ?
C11 N1 C9 C8 16.6(6) . . . . ?
C11 N1 C18 C19 -36.1(6) . . . . ?
C11 N1 C18 C21 71.4(5) . . . . ?
C11 N2 C10 C8 -38.4(5) . . . . ?
C11 N2 C12 C13 30.5(6) . . . . ?
C11 N2 C12 C17 -152.3(4) . . . . ?
C12 N2 C10 C8 171.8(4) . . . . ?
C12 N2 C11 N1 -145.9(4) . . . . ?
C12 C13 C14 C15 2.0(6) . . . . ?
C13 C12 C17 C16 2.0(6) . . . . ?
C13 C14 C15 C16 -0.7(6) . . . . ?
C14 C15 C16 C17 0.1(6) . . . . ?
C15 C16 C17 C12 -0.7(6) . . . . ?
C17 C12 C13 C14 -2.6(6) . . . . ?
C18 N1 C9 C1 58.1(5) . . . . ?
C18 N1 C9 C8 -127.4(5) . . . . ?
C18 N1 C11 N2 91.6(4) . . . . ?
C18 C19 C20 C21 -16.9(4) . . . . ?
C19 C18 C21 C20 -17.0(4) . . . . ?
C19 C20 C21 C18 17.3(4) . . . . ?
C21 C18 C19 C20 16.9(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
;
_oxdiff_exptl_absorpt_empirical_full_max 1.332
_oxdiff_exptl_absorpt_empirical_full_min 0.635
