# Supplementary Information (SI) for Chemical Communications.
# 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_pcrpsm-369
_database_code_depnum_ccdc_archive 'CCDC 2478645'
loop_
_audit_author_name
_audit_author_address
'ABHIPSA GHOSH'
;IISER Tirupati
India
;
_audit_update_record             
;
2025-08-06 deposited with the CCDC.	2025-11-13 downloaded from the CCDC.
;
_audit_creation_date             2025-06-30
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C22 H20 N O2'
_chemical_formula_sum            'C22 H20 N O2'
_chemical_formula_weight         330.39
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C H 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 0.0181 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/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                   8.7902(2)
_cell_length_b                   31.2988(5)
_cell_length_c                   7.03520(10)
_cell_angle_alpha                90
_cell_angle_beta                 110.298(2)
_cell_angle_gamma                90
_cell_volume                     1815.35(6)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    8220
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      77.4750
_cell_measurement_theta_min      5.3560
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.611
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.76570
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.89a (Rigaku Oxford Diffraction, 2023)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.209
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             700
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0465
_diffrn_reflns_av_unetI/netI     0.0364
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.976
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       38
_diffrn_reflns_limit_k_min       -39
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -5
_diffrn_reflns_number            14614
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.976
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         78.183
_diffrn_reflns_theta_min         5.366
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 5.8140
_diffrn_detector_type            'Pilatus 200K'
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -97.00 -14.00   0.50    3.24    --  -38.50 140.00-104.00  166
  2  ω    -91.00  -9.00   0.50    3.24    --  -38.50 130.00  81.00  164
  3  ω     31.00 103.00   0.50    3.24    --   49.56-130.00   9.00  144
  4  ω     45.00 116.00   0.50    7.16    --  107.46-130.00   9.00  142
  5  ω     45.00 123.00   0.50    7.16    --  107.46-140.00-164.00  156
  6  ω     95.00 170.00   0.50    7.16    --  107.46 130.00  81.00  150
  7  ω     88.00 170.00   0.50    7.16    --  107.46 140.00-104.00  164
  8  ω    -43.00  31.00   0.50    3.24    --  -38.50  19.00-120.00  148
  9  ω    -98.00 -28.00   0.50    3.24    --  -38.50 -57.00  60.00  140
 10  ω     48.00  73.00   0.50    3.24    --   49.56-140.00-164.00   50
 11  ω    -16.00  36.00   0.50    3.24    --   49.56 -37.00 -90.00  104
 12  ω     39.00 107.00   0.50    7.16    --  107.46 -94.00  30.00  136
 13  ω    104.00 129.00   0.50    7.16    --  107.46  30.00   0.00   50
 14  ω     42.00 115.00   0.50    7.16    --  107.46 -15.00   0.00  146
 15  ω     50.00 110.00   0.50    7.16    --  107.46 -30.00   0.00  120
 16  ω    135.00 161.00   0.50    7.16    --  107.46  30.00   0.00   52
 17  ω     46.00  71.00   0.50    7.16    --  107.46-125.00  60.00   50
 18  ω     86.00 112.00   0.50    7.16    --  107.46-125.00  60.00   52
 19  ω     54.00 119.00   0.50    7.16    --  107.46 -61.00 150.00  130
 20  ω    125.00 151.00   0.50    7.16    --  107.46  77.00   0.00   52
 21  ω     58.00 107.00   0.50    7.16    --  107.46 -94.00 -60.00   98
 22  ω     48.00 110.00   0.50    7.16    --  107.46 -30.00 -60.00  124
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  
'SuperNova, Dual, Cu at home/near, Pilatus 200K'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.1391560000
_diffrn_orient_matrix_UB_12      -0.0323443000
_diffrn_orient_matrix_UB_13      -0.0859181000
_diffrn_orient_matrix_UB_21      0.1199145000
_diffrn_orient_matrix_UB_22      -0.0370542000
_diffrn_orient_matrix_UB_23      0.0840466000
_diffrn_orient_matrix_UB_31      -0.0344151000
_diffrn_orient_matrix_UB_32      0.0016867000
_diffrn_orient_matrix_UB_33      0.2001828000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3227
_reflns_number_total             3795
_reflns_odcompleteness_completeness 99.71
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     68.13
_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 1.171.42.89a (Rigaku OD, 2023)'
_computing_data_collection       'CrysAlisPro 1.171.42.89a (Rigaku OD, 2023)'
_computing_data_reduction        'CrysAlisPro 1.171.42.89a (Rigaku OD, 2023)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2016/6 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.458
_refine_diff_density_min         -0.351
_refine_diff_density_rms         0.057
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     229
_refine_ls_number_reflns         3795
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0814
_refine_ls_R_factor_gt           0.0753
_refine_ls_restrained_S_all      1.084
_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)+(0.1467P)²+0.5198P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2299
_refine_ls_wR_factor_ref         0.2377
_refine_special_details          ?
_olex2_refinement_description    
;
1. Restrained distances
 C14-C15
 1.7 with sigma of 0.02
2.a Secondary CH2 refined with riding coordinates:
 C14(H14A,H14B)
2.b Aromatic/amide H refined with riding coordinates:
 C9(H9), C7(H7), C8(H8), C13(H13), C18(H18), C22(H22), C21(H21), C20(H20),
 C19(H19)
2.c Idealised Me refined as rotating group:
 C4(H4A,H4B,H4C), C5(H5A,H5B,H5C), C15(H15A,H15B,H15C)
;
_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 0.75266(19) 0.29386(5) 0.5230(3) 0.0638(4) Uani 1 1 d . . . . .
N1 N 0.2755(2) 0.23098(5) 0.3365(2) 0.0509(4) Uani 1 1 d . . . . .
O2 O 0.3384(3) 0.43773(6) 0.2364(4) 0.0934(7) Uani 1 1 d . . . . .
C2 C 0.4686(2) 0.28154(6) 0.4119(3) 0.0456(4) Uani 1 1 d . . . . .
C11 C 0.3164(2) 0.30131(6) 0.3557(3) 0.0455(4) Uani 1 1 d . . . . .
C1 C 0.6129(2) 0.30754(6) 0.4707(3) 0.0465(4) Uani 1 1 d . . . . .
C16 C 0.5806(2) 0.35488(6) 0.4637(3) 0.0479(5) Uani 1 1 d . . . . .
C6 C 0.1948(3) 0.27026(7) 0.3085(3) 0.0503(5) Uani 1 1 d . . . . .
C12 C 0.4269(2) 0.37221(6) 0.4112(3) 0.0488(5) Uani 1 1 d . . . . .
C10 C 0.2841(2) 0.34497(6) 0.3504(3) 0.0476(5) Uani 1 1 d . . . . .
C3 C 0.4385(3) 0.23746(6) 0.3983(3) 0.0489(5) Uani 1 1 d . . . . .
C17 C 0.7258(3) 0.38286(7) 0.5165(3) 0.0528(5) Uani 1 1 d . . . . .
C9 C 0.1206(3) 0.35657(8) 0.2928(3) 0.0568(5) Uani 1 1 d . . . . .
H9 H 0.091996 0.385292 0.286047 0.068 Uiso 1 1 calc R U . . .
C7 C 0.0337(3) 0.28174(8) 0.2520(3) 0.0608(6) Uani 1 1 d . . . . .
H7 H -0.048590 0.261417 0.219782 0.073 Uiso 1 1 calc R U . . .
C8 C 0.0005(3) 0.32537(9) 0.2457(4) 0.0637(6) Uani 1 1 d . . . . .
H8 H -0.107096 0.334042 0.208099 0.076 Uiso 1 1 calc R U . . .
C4 C 0.5574(3) 0.20191(8) 0.4429(3) 0.0623(6) Uani 1 1 d . . . . .
H4A H 0.564295 0.188683 0.568787 0.093 Uiso 1 1 calc R U . . .
H4B H 0.661877 0.212861 0.452946 0.093 Uiso 1 1 calc R U . . .
H4C H 0.522831 0.181166 0.335932 0.093 Uiso 1 1 calc R U . . .
C13 C 0.4009(3) 0.41921(8) 0.4282(4) 0.0670(6) Uani 1 1 d . . . . .
H13 H 0.423253 0.433937 0.549672 0.080 Uiso 1 1 calc R U . . .
C5 C 0.1920(3) 0.19014(8) 0.3075(3) 0.0631(6) Uani 1 1 d . . . . .
H5A H 0.201674 0.178275 0.437055 0.095 Uiso 1 1 calc R U . . .
H5B H 0.239653 0.170946 0.237622 0.095 Uiso 1 1 calc R U . . .
H5C H 0.079432 0.194221 0.228827 0.095 Uiso 1 1 calc R U . . .
C18 C 0.7446(3) 0.41217(8) 0.3779(4) 0.0648(6) Uani 1 1 d . . . . .
H18 H 0.666000 0.414213 0.249460 0.078 Uiso 1 1 calc R U . . .
C22 C 0.8491(3) 0.38027(8) 0.7061(4) 0.0626(6) Uani 1 1 d . . . . .
H22 H 0.840466 0.360519 0.800660 0.075 Uiso 1 1 calc R U . . .
C21 C 0.9836(3) 0.40660(9) 0.7553(5) 0.0743(7) Uani 1 1 d . . . . .
H21 H 1.064116 0.404664 0.882343 0.089 Uiso 1 1 calc R U . . .
C20 C 0.9980(4) 0.43578(9) 0.6153(5) 0.0803(8) Uani 1 1 d . . . . .
H20 H 1.088141 0.453581 0.647911 0.096 Uiso 1 1 calc R U . . .
C19 C 0.8803(4) 0.43840(9) 0.4303(5) 0.0775(8) Uani 1 1 d . . . . .
H19 H 0.890586 0.458144 0.336676 0.093 Uiso 1 1 calc R U . . .
C14 C 0.3075(9) 0.48199(13) 0.2529(8) 0.161(2) Uani 1 1 d D . . . .
H14A H 0.217424 0.484925 0.301606 0.194 Uiso 1 1 calc R U . . .
H14B H 0.402016 0.494861 0.352702 0.194 Uiso 1 1 calc R U . . .
C15 C 0.2717(10) 0.50394(16) 0.0732(10) 0.185(3) Uani 1 1 d D . . . .
H15A H 0.365575 0.504509 0.033094 0.277 Uiso 1 1 calc R U . . .
H15B H 0.240560 0.532657 0.090751 0.277 Uiso 1 1 calc R U . . .
H15C H 0.184105 0.489976 -0.029746 0.277 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 1.231(2) . ?
N1 C6 1.398(3) . ?
N1 C3 1.361(3) . ?
N1 C5 1.453(3) . ?
O2 C13 1.395(3) . ?
O2 C14 1.424(5) . ?
C2 C11 1.401(3) . ?
C2 C1 1.442(3) . ?
C2 C3 1.402(3) . ?
C11 C6 1.397(3) . ?
C11 C10 1.394(3) . ?
C1 C16 1.506(3) . ?
C16 C12 1.382(3) . ?
C16 C17 1.485(3) . ?
C6 C7 1.380(3) . ?
C12 C10 1.454(3) . ?
C12 C13 1.500(3) . ?
C10 C9 1.399(3) . ?
C3 C4 1.484(3) . ?
C17 C18 1.390(3) . ?
C17 C22 1.400(3) . ?
C9 H9 0.9300 . ?
C9 C8 1.391(3) . ?
C7 H7 0.9300 . ?
C7 C8 1.394(4) . ?
C8 H8 0.9300 . ?
C4 H4A 0.9600 . ?
C4 H4B 0.9600 . ?
C4 H4C 0.9600 . ?
C13 H13 0.9300 . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C18 H18 0.9300 . ?
C18 C19 1.388(4) . ?
C22 H22 0.9300 . ?
C22 C21 1.383(3) . ?
C21 H21 0.9300 . ?
C21 C20 1.381(4) . ?
C20 H20 0.9300 . ?
C20 C19 1.356(5) . ?
C19 H19 0.9300 . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C14 C15 1.376(7) . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 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
C6 N1 C5 123.2(2) . . ?
C3 N1 C6 109.89(17) . . ?
C3 N1 C5 126.9(2) . . ?
C13 O2 C14 110.3(3) . . ?
C11 C2 C1 119.40(18) . . ?
C11 C2 C3 106.05(18) . . ?
C3 C2 C1 134.54(19) . . ?
C6 C11 C2 109.68(18) . . ?
C10 C11 C2 127.34(18) . . ?
C10 C11 C6 122.96(19) . . ?
O1 C1 C2 125.25(19) . . ?
O1 C1 C16 120.62(18) . . ?
C2 C1 C16 114.13(16) . . ?
C12 C16 C1 123.40(18) . . ?
C12 C16 C17 120.72(19) . . ?
C17 C16 C1 115.88(17) . . ?
C11 C6 N1 105.64(18) . . ?
C7 C6 N1 133.6(2) . . ?
C7 C6 C11 120.8(2) . . ?
C16 C12 C10 120.85(19) . . ?
C16 C12 C13 121.72(19) . . ?
C10 C12 C13 117.29(18) . . ?
C11 C10 C12 114.84(17) . . ?
C11 C10 C9 116.20(19) . . ?
C9 C10 C12 128.9(2) . . ?
N1 C3 C2 108.74(18) . . ?
N1 C3 C4 122.83(19) . . ?
C2 C3 C4 128.4(2) . . ?
C18 C17 C16 121.0(2) . . ?
C18 C17 C22 117.8(2) . . ?
C22 C17 C16 121.2(2) . . ?
C10 C9 H9 119.8 . . ?
C8 C9 C10 120.3(2) . . ?
C8 C9 H9 119.8 . . ?
C6 C7 H7 121.7 . . ?
C6 C7 C8 116.5(2) . . ?
C8 C7 H7 121.7 . . ?
C9 C8 C7 123.2(2) . . ?
C9 C8 H8 118.4 . . ?
C7 C8 H8 118.4 . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
O2 C13 C12 110.5(2) . . ?
O2 C13 H13 124.7 . . ?
C12 C13 H13 124.7 . . ?
N1 C5 H5A 109.5 . . ?
N1 C5 H5B 109.5 . . ?
N1 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C17 C18 H18 119.8 . . ?
C19 C18 C17 120.3(2) . . ?
C19 C18 H18 119.8 . . ?
C17 C22 H22 119.5 . . ?
C21 C22 C17 121.1(2) . . ?
C21 C22 H22 119.5 . . ?
C22 C21 H21 120.1 . . ?
C20 C21 C22 119.9(3) . . ?
C20 C21 H21 120.1 . . ?
C21 C20 H20 120.1 . . ?
C19 C20 C21 119.8(3) . . ?
C19 C20 H20 120.1 . . ?
C18 C19 H19 119.4 . . ?
C20 C19 C18 121.2(3) . . ?
C20 C19 H19 119.4 . . ?
O2 C14 H14A 108.9 . . ?
O2 C14 H14B 108.9 . . ?
H14A C14 H14B 107.7 . . ?
C15 C14 O2 113.6(5) . . ?
C15 C14 H14A 108.9 . . ?
C15 C14 H14B 108.9 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 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 C16 C12 -178.32(19) . . . . ?
O1 C1 C16 C17 1.9(3) . . . . ?
N1 C6 C7 C8 178.4(2) . . . . ?
C2 C11 C6 N1 -0.1(2) . . . . ?
C2 C11 C6 C7 178.83(17) . . . . ?
C2 C11 C10 C12 -0.1(3) . . . . ?
C2 C11 C10 C9 -178.60(17) . . . . ?
C2 C1 C16 C12 1.7(2) . . . . ?
C2 C1 C16 C17 -178.03(16) . . . . ?
C11 C2 C1 O1 179.93(18) . . . . ?
C11 C2 C1 C16 -0.1(2) . . . . ?
C11 C2 C3 N1 0.06(19) . . . . ?
C11 C2 C3 C4 -179.37(18) . . . . ?
C11 C6 C7 C8 -0.2(3) . . . . ?
C11 C10 C9 C8 0.3(3) . . . . ?
C1 C2 C11 C6 -178.96(15) . . . . ?
C1 C2 C11 C10 -0.6(3) . . . . ?
C1 C2 C3 N1 178.83(18) . . . . ?
C1 C2 C3 C4 -0.6(3) . . . . ?
C1 C16 C12 C10 -2.6(3) . . . . ?
C1 C16 C12 C13 173.11(19) . . . . ?
C1 C16 C17 C18 119.6(2) . . . . ?
C1 C16 C17 C22 -59.6(3) . . . . ?
C16 C12 C10 C11 1.7(3) . . . . ?
C16 C12 C10 C9 179.96(19) . . . . ?
C16 C12 C13 O2 108.9(2) . . . . ?
C16 C17 C18 C19 179.4(2) . . . . ?
C16 C17 C22 C21 -179.5(2) . . . . ?
C6 N1 C3 C2 -0.1(2) . . . . ?
C6 N1 C3 C4 179.34(17) . . . . ?
C6 C11 C10 C12 177.99(16) . . . . ?
C6 C11 C10 C9 -0.5(3) . . . . ?
C6 C7 C8 C9 0.0(3) . . . . ?
C12 C16 C17 C18 -60.2(3) . . . . ?
C12 C16 C17 C22 120.6(2) . . . . ?
C12 C10 C9 C8 -177.90(19) . . . . ?
C10 C11 C6 N1 -178.51(16) . . . . ?
C10 C11 C6 C7 0.4(3) . . . . ?
C10 C12 C13 O2 -75.3(3) . . . . ?
C10 C9 C8 C7 -0.1(3) . . . . ?
C3 N1 C6 C11 0.1(2) . . . . ?
C3 N1 C6 C7 -178.6(2) . . . . ?
C3 C2 C11 C6 0.03(19) . . . . ?
C3 C2 C11 C10 178.35(18) . . . . ?
C3 C2 C1 O1 1.3(3) . . . . ?
C3 C2 C1 C16 -178.75(19) . . . . ?
C17 C16 C12 C10 177.14(17) . . . . ?
C17 C16 C12 C13 -7.2(3) . . . . ?
C17 C18 C19 C20 0.9(4) . . . . ?
C17 C22 C21 C20 -0.5(4) . . . . ?
C13 O2 C14 C15 169.7(5) . . . . ?
C13 C12 C10 C11 -174.17(18) . . . . ?
C13 C12 C10 C9 4.1(3) . . . . ?
C5 N1 C6 C11 178.47(16) . . . . ?
C5 N1 C6 C7 -0.3(3) . . . . ?
C5 N1 C3 C2 -178.38(17) . . . . ?
C5 N1 C3 C4 1.1(3) . . . . ?
C18 C17 C22 C21 1.3(4) . . . . ?
C22 C17 C18 C19 -1.4(4) . . . . ?
C22 C21 C20 C19 -0.1(4) . . . . ?
C21 C20 C19 C18 -0.1(4) . . . . ?
C14 O2 C13 C12 177.6(4) . . . . ?

_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
;
_oxdiff_exptl_absorpt_empirical_full_max 1.922
_oxdiff_exptl_absorpt_empirical_full_min 0.471
