# Supplementary Information (SI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 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_rd_sd_cry_07_210425_auto
_database_code_depnum_ccdc_archive 'CCDC 2483407'
loop_
_audit_author_name
_audit_author_address
'Sanchita Das'
;NIT Silchar
India
;
_audit_update_record             
;
2025-08-28 deposited with the CCDC.	2025-12-19 downloaded from the CCDC.
;
_audit_creation_date             2025-08-21
_audit_creation_method           
;
Olex2 1.5-alpha
(compiled 2022.11.02 svn.ra8b101fa for OlexSys, GUI svn.r6635)
;
_shelx_SHELXL_version_number     2018/3
loop_
_audit_author_email
?
_chemical_name_common            HL
_chemical_name_systematic        'Crystal 7'
_chemical_formula_moiety         'C21 H16 N2 O2'
_chemical_formula_sum            'C21 H16 N2 O2'
_chemical_formula_weight         328.36
_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 0.0033 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                   10.2561(5)
_cell_length_b                   7.5393(3)
_cell_length_c                   21.0409(8)
_cell_angle_alpha                90
_cell_angle_beta                 98.471(4)
_cell_angle_gamma                90
_cell_volume                     1609.21(12)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    6438
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.6790
_cell_measurement_theta_min      2.0060
_shelx_estimated_absorpt_T_max   0.988
_shelx_estimated_absorpt_T_min   0.983
_exptl_absorpt_coefficient_mu    0.088
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.02318
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.93a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear orangish yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   orangish
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.355
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             688
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: DCM and Hexane (1:1)'
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.14
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0304
_diffrn_reflns_av_unetI/netI     0.0321
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.936
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            12185
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.936
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.172
_diffrn_reflns_theta_min         1.957
_diffrn_ambient_temperature      293
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.936
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -76.00  -3.00   0.50   21.08    --   10.00 -57.00-120.00  146
  2  ω    -17.00  29.00   0.50   21.08    --   10.00  82.00 -90.00   92
  3  ω     45.00  83.00   0.50   21.08    --   10.00  82.00 -90.00   76
  4  ω    -13.00  75.00   0.50   21.08    --   10.00  77.00  30.00  176
  5  ω      0.00  26.00   0.50   21.08    --   10.00  77.00 120.00   52
  6  ω     37.00  99.00   0.50   21.08    --   10.00  77.00 120.00  124
  7  ω    -30.00  78.00   0.50   21.08    --  -10.20  77.00 -30.00  216
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Pro II 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      0.0131562000
_diffrn_orient_matrix_UB_12      0.0746148000
_diffrn_orient_matrix_UB_13      0.0204765000
_diffrn_orient_matrix_UB_21      -0.0066859000
_diffrn_orient_matrix_UB_22      -0.0538650000
_diffrn_orient_matrix_UB_23      0.0269891000
_diffrn_orient_matrix_UB_31      0.0683147000
_diffrn_orient_matrix_UB_32      -0.0195919000
_diffrn_orient_matrix_UB_33      0.0038290000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'Rigaku (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2427
_reflns_number_total             3346
_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-alpha (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-alpha (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.157
_refine_diff_density_min         -0.127
_refine_diff_density_rms         0.030
_refine_ls_extinction_coef       0.0106(15)
_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   1.100
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     232
_refine_ls_number_reflns         3346
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0599
_refine_ls_R_factor_gt           0.0407
_refine_ls_restrained_S_all      1.100
_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)+(0.0590P)²+0.0335P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1090
_refine_ls_wR_factor_ref         0.1167
_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, All O(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C00D(H00D), C00F(H00F), C00G(H00G), C00H(H00H), C00I(H00I), C00J(H00J),
 C00K(H00K), C00L(H00L), C00M(H00M), C00N(H00N), C00O(H00O)
2.b Idealised Me refined as rotating group:
 C00P(H00A,H00C,H00E)
2.c Idealised tetrahedral OH refined as rotating group:
 O002(H002)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_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 0.89375(11) 0.02887(12) 0.62796(4) 0.0678(3) Uani 1 1 d . . . . .
O002 O 0.60869(9) 0.28216(15) 0.45220(4) 0.0717(3) Uani 1 1 d . . . . .
H002 H 0.530715 0.307096 0.441540 0.108 Uiso 1 1 calc R U . . .
N003 N 0.35960(11) 0.31110(13) 0.46287(5) 0.0516(3) Uani 1 1 d . . . . .
N004 N 0.22563(11) 0.34735(13) 0.44778(5) 0.0514(3) Uani 1 1 d . . . . .
C005 C 0.25685(13) 0.47166(15) 0.33754(5) 0.0452(3) Uani 1 1 d . . . . .
C006 C 0.16469(12) 0.56322(15) 0.29300(6) 0.0453(3) Uani 1 1 d . . . . .
C007 C 0.18788(13) 0.41842(15) 0.39219(6) 0.0454(3) Uani 1 1 d . . . . .
C008 C 0.04937(13) 0.47309(15) 0.37432(6) 0.0478(3) Uani 1 1 d . . . . .
C009 C 0.03595(12) 0.56245(15) 0.31535(6) 0.0468(3) Uani 1 1 d . . . . .
C00A C 0.51941(14) 0.19120(15) 0.54600(5) 0.0485(3) Uani 1 1 d . . . . .
C00B C 0.38825(15) 0.23950(16) 0.51918(6) 0.0515(4) Uani 1 1 d . . . . .
H00B H 0.3164(12) 0.2179(17) 0.5438(6) 0.062 Uiso 1 1 d . U . . .
C00C C 0.62603(14) 0.21189(17) 0.51203(5) 0.0514(4) Uani 1 1 d . . . . .
C00D C 0.20208(14) 0.63638(17) 0.23811(6) 0.0533(4) Uani 1 1 d . . . . .
H00D H 0.142100 0.701009 0.209699 0.064 Uiso 1 1 calc R U . . .
C00E C 0.77412(15) 0.08553(16) 0.59865(6) 0.0546(4) Uani 1 1 d . . . . .
C00F C 0.75159(14) 0.15992(17) 0.53794(6) 0.0553(4) Uani 1 1 d . . . . .
H00F H 0.821069 0.174883 0.514595 0.066 Uiso 1 1 calc R U . . .
C00G C -0.05810(14) 0.45214(17) 0.40648(7) 0.0575(4) Uani 1 1 d . . . . .
H00G H -0.049396 0.394341 0.445921 0.069 Uiso 1 1 calc R U . . .
C00H C 0.38365(13) 0.44656(18) 0.32437(6) 0.0552(4) Uani 1 1 d . . . . .
H00H H 0.444767 0.383589 0.352756 0.066 Uiso 1 1 calc R U . . .
C00I C -0.08443(14) 0.63076(17) 0.28810(7) 0.0578(4) Uani 1 1 d . . . . .
H00I H -0.093277 0.690401 0.249006 0.069 Uiso 1 1 calc R U . . .
C00J C 0.32916(15) 0.61221(19) 0.22617(6) 0.0590(4) Uani 1 1 d . . . . .
H00J H 0.354982 0.660890 0.189363 0.071 Uiso 1 1 calc R U . . .
C00K C 0.54628(16) 0.11583(18) 0.60787(6) 0.0591(4) Uani 1 1 d . . . . .
H00K H 0.477490 0.100670 0.631643 0.071 Uiso 1 1 calc R U . . .
C00L C 0.41876(15) 0.51673(19) 0.26805(6) 0.0619(4) Uani 1 1 d . . . . .
H00L H 0.503563 0.498988 0.258597 0.074 Uiso 1 1 calc R U . . .
C00M C 0.67008(17) 0.06456(17) 0.63384(6) 0.0618(4) Uani 1 1 d . . . . .
H00M H 0.685152 0.015789 0.674866 0.074 Uiso 1 1 calc R U . . .
C00N C -0.19151(15) 0.60829(19) 0.32038(8) 0.0668(4) Uani 1 1 d . . . . .
H00N H -0.273170 0.653697 0.302726 0.080 Uiso 1 1 calc R U . . .
C00O C -0.17904(16) 0.51924(19) 0.37857(8) 0.0667(4) Uani 1 1 d . . . . .
H00O H -0.252556 0.504285 0.399148 0.080 Uiso 1 1 calc R U . . .
C00P C 0.99917(16) 0.0341(2) 0.59176(8) 0.0755(5) Uani 1 1 d . . . . .
H00A H 0.979602 -0.041739 0.554929 0.113 Uiso 1 1 calc R U . . .
H00C H 1.078385 -0.006013 0.617871 0.113 Uiso 1 1 calc R U . . .
H00E H 1.011215 0.153452 0.577868 0.113 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 C00E 1.3584(16) . ?
O001 C00P 1.4119(19) . ?
O002 H002 0.8200 . ?
O002 C00C 1.3533(13) . ?
N003 N004 1.3909(15) . ?
N003 C00B 1.2957(15) . ?
N004 C007 1.2930(15) . ?
C005 C006 1.4098(17) . ?
C005 C007 1.4910(17) . ?
C005 C00H 1.3821(18) . ?
C006 C009 1.4654(18) . ?
C006 C00D 1.3840(17) . ?
C007 C008 1.4737(18) . ?
C008 C009 1.4008(17) . ?
C008 C00G 1.3846(18) . ?
C009 C00I 1.3819(18) . ?
C00A C00B 1.4272(18) . ?
C00A C00C 1.4005(18) . ?
C00A C00K 1.4099(17) . ?
C00B H00B 0.974(13) . ?
C00C C00F 1.3792(18) . ?
C00D H00D 0.9300 . ?
C00D C00J 1.3754(19) . ?
C00E C00F 1.3829(17) . ?
C00E C00M 1.395(2) . ?
C00F H00F 0.9300 . ?
C00G H00G 0.9300 . ?
C00G C00O 1.3873(19) . ?
C00H H00H 0.9300 . ?
C00H C00L 1.3925(18) . ?
C00I H00I 0.9300 . ?
C00I C00N 1.384(2) . ?
C00J H00J 0.9300 . ?
C00J C00L 1.3787(19) . ?
C00K H00K 0.9300 . ?
C00K C00M 1.362(2) . ?
C00L H00L 0.9300 . ?
C00M H00M 0.9300 . ?
C00N H00N 0.9300 . ?
C00N C00O 1.386(2) . ?
C00O H00O 0.9300 . ?
C00P H00A 0.9600 . ?
C00P H00C 0.9600 . ?
C00P H00E 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
C00E O001 C00P 117.30(11) . . ?
C00C O002 H002 109.5 . . ?
C00B N003 N004 111.96(11) . . ?
C007 N004 N003 116.23(10) . . ?
C006 C005 C007 107.26(11) . . ?
C00H C005 C006 119.48(11) . . ?
C00H C005 C007 133.25(12) . . ?
C005 C006 C009 109.40(11) . . ?
C00D C006 C005 120.59(12) . . ?
C00D C006 C009 130.01(12) . . ?
N004 C007 C005 134.13(12) . . ?
N004 C007 C008 119.71(11) . . ?
C008 C007 C005 106.08(10) . . ?
C009 C008 C007 109.01(11) . . ?
C00G C008 C007 130.56(12) . . ?
C00G C008 C009 120.42(13) . . ?
C008 C009 C006 108.10(11) . . ?
C00I C009 C006 131.10(12) . . ?
C00I C009 C008 120.80(12) . . ?
C00C C00A C00B 122.07(11) . . ?
C00C C00A C00K 117.07(12) . . ?
C00K C00A C00B 120.84(12) . . ?
N003 C00B C00A 122.79(13) . . ?
N003 C00B H00B 117.9(7) . . ?
C00A C00B H00B 119.3(7) . . ?
O002 C00C C00A 120.86(12) . . ?
O002 C00C C00F 117.78(12) . . ?
C00F C00C C00A 121.36(11) . . ?
C006 C00D H00D 120.5 . . ?
C00J C00D C006 119.09(13) . . ?
C00J C00D H00D 120.5 . . ?
O001 C00E C00F 124.32(14) . . ?
O001 C00E C00M 115.71(12) . . ?
C00F C00E C00M 119.97(13) . . ?
C00C C00F C00E 119.97(13) . . ?
C00C C00F H00F 120.0 . . ?
C00E C00F H00F 120.0 . . ?
C008 C00G H00G 120.7 . . ?
C008 C00G C00O 118.56(14) . . ?
C00O C00G H00G 120.7 . . ?
C005 C00H H00H 120.4 . . ?
C005 C00H C00L 119.19(13) . . ?
C00L C00H H00H 120.4 . . ?
C009 C00I H00I 120.8 . . ?
C009 C00I C00N 118.40(13) . . ?
C00N C00I H00I 120.8 . . ?
C00D C00J H00J 119.6 . . ?
C00D C00J C00L 120.84(12) . . ?
C00L C00J H00J 119.6 . . ?
C00A C00K H00K 119.0 . . ?
C00M C00K C00A 121.91(14) . . ?
C00M C00K H00K 119.0 . . ?
C00H C00L H00L 119.6 . . ?
C00J C00L C00H 120.71(14) . . ?
C00J C00L H00L 119.6 . . ?
C00E C00M H00M 120.1 . . ?
C00K C00M C00E 119.72(12) . . ?
C00K C00M H00M 120.1 . . ?
C00I C00N H00N 119.5 . . ?
C00I C00N C00O 121.08(14) . . ?
C00O C00N H00N 119.5 . . ?
C00G C00O H00O 119.6 . . ?
C00N C00O C00G 120.74(14) . . ?
C00N C00O H00O 119.6 . . ?
O001 C00P H00A 109.5 . . ?
O001 C00P H00C 109.5 . . ?
O001 C00P H00E 109.5 . . ?
H00A C00P H00C 109.5 . . ?
H00A C00P H00E 109.5 . . ?
H00C C00P H00E 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
O001 C00E C00F C00C 179.38(11) . . . . ?
O001 C00E C00M C00K -179.23(11) . . . . ?
O002 C00C C00F C00E -179.28(11) . . . . ?
N003 N004 C007 C005 0.76(19) . . . . ?
N003 N004 C007 C008 -175.54(9) . . . . ?
N004 N003 C00B C00A -179.45(10) . . . . ?
N004 C007 C008 C009 173.88(10) . . . . ?
N004 C007 C008 C00G -4.6(2) . . . . ?
C005 C006 C009 C008 1.06(13) . . . . ?
C005 C006 C009 C00I -178.51(12) . . . . ?
C005 C006 C00D C00J 2.72(17) . . . . ?
C005 C007 C008 C009 -3.36(12) . . . . ?
C005 C007 C008 C00G 178.14(12) . . . . ?
C005 C00H C00L C00J 0.9(2) . . . . ?
C006 C005 C007 N004 -172.71(12) . . . . ?
C006 C005 C007 C008 3.95(12) . . . . ?
C006 C005 C00H C00L 1.77(18) . . . . ?
C006 C009 C00I C00N 179.32(12) . . . . ?
C006 C00D C00J C00L -0.06(19) . . . . ?
C007 C005 C006 C009 -3.13(12) . . . . ?
C007 C005 C006 C00D 177.08(10) . . . . ?
C007 C005 C00H C00L -179.12(12) . . . . ?
C007 C008 C009 C006 1.51(13) . . . . ?
C007 C008 C009 C00I -178.87(10) . . . . ?
C007 C008 C00G C00O 179.25(12) . . . . ?
C008 C009 C00I C00N -0.20(18) . . . . ?
C008 C00G C00O C00N -1.22(19) . . . . ?
C009 C006 C00D C00J -177.02(12) . . . . ?
C009 C008 C00G C00O 0.89(18) . . . . ?
C009 C00I C00N C00O -0.14(19) . . . . ?
C00A C00C C00F C00E 0.0(2) . . . . ?
C00A C00K C00M C00E -0.4(2) . . . . ?
C00B N003 N004 C007 -179.70(10) . . . . ?
C00B C00A C00C O002 1.16(19) . . . . ?
C00B C00A C00C C00F -178.14(11) . . . . ?
C00B C00A C00K C00M 178.32(12) . . . . ?
C00C C00A C00B N003 -2.49(19) . . . . ?
C00C C00A C00K C00M -0.15(19) . . . . ?
C00D C006 C009 C008 -179.18(12) . . . . ?
C00D C006 C009 C00I 1.3(2) . . . . ?
C00D C00J C00L C00H -1.8(2) . . . . ?
C00F C00E C00M C00K 0.71(19) . . . . ?
C00G C008 C009 C006 -179.81(11) . . . . ?
C00G C008 C009 C00I -0.19(17) . . . . ?
C00H C005 C006 C009 176.19(10) . . . . ?
C00H C005 C006 C00D -3.60(17) . . . . ?
C00H C005 C007 N004 8.1(2) . . . . ?
C00H C005 C007 C008 -175.24(13) . . . . ?
C00I C00N C00O C00G 0.9(2) . . . . ?
C00K C00A C00B N003 179.11(11) . . . . ?
C00K C00A C00C O002 179.61(11) . . . . ?
C00K C00A C00C C00F 0.31(18) . . . . ?
C00M C00E C00F C00C -0.56(19) . . . . ?
C00P O001 C00E C00F -5.16(19) . . . . ?
C00P O001 C00E C00M 174.78(11) . . . . ?

_olex2_submission_original_sample_id 'Crystal 7'
_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 16.027
_oxdiff_exptl_absorpt_empirical_full_min 0.303
# start Validation Reply Form
_vrf_PLAT230_rd_sd_cry_07_210425_auto 
;
PROBLEM: Hirshfeld Test Diff for    C00A     --C00B     .        8.4 s.u.  
RESPONSE: Possibly due to minor thermal motion or slight model imperfections.
;
# end Validation Reply Form
_exptl_crystal_preparation       Luminescent
