# Supplementary Information (SI) for Organic & Biomolecular Chemistry.
# 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_fip17
_database_code_depnum_ccdc_archive 'CCDC 2495681'
loop_
_audit_author_name
_audit_author_address
'Ilya Filippov'
;Saint Petersburg State University
Russia
;
_audit_update_record             
;
2025-10-15 deposited with the CCDC.	2025-11-28 downloaded from the CCDC.
;
_audit_creation_date             2025-10-15
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        
2-((3R,5'S)-1-methyl-2-oxo-5'-phenyl-5'H-spiro[indoline-3,2'-oxazol]-5'-yl)isoindoline-1,3-dione
_chemical_formula_moiety         '1.143(C25 H17 N3 O4)'
_chemical_formula_sum            'C28.57 H19.43 N3.43 O4.57'
_chemical_formula_weight         483.90
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C25 H17 N3 O4'
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      orthorhombic
_space_group_IT_number           61
_space_group_name_H-M_alt        'P b c a'
_space_group_name_Hall           '-P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x-1/2, y-1/2, z'

_cell_length_a                   10.23700(10)
_cell_length_b                   15.85190(10)
_cell_length_c                   25.2440(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     4096.49(6)
_cell_formula_units_Z            7
_cell_measurement_reflns_used    20995
_cell_measurement_temperature    100.0(3)
_cell_measurement_theta_max      71.7390
_cell_measurement_theta_min      3.2450
_shelx_estimated_absorpt_T_max   0.912
_shelx_estimated_absorpt_T_min   0.835
_exptl_absorpt_coefficient_mu    0.780
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.71621
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.101a (Rigaku Oxford Diffraction, 2023)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'dull light colourless'
_exptl_crystal_colour_lustre     dull
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.373
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             1760
_exptl_crystal_preparation       ?
_exptl_crystal_recrystallization_method 
'Single crystals were grown by slow evaporation of its solution in dimethyl ether-hexane-DCM mixture.'
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0352
_diffrn_reflns_av_unetI/netI     0.0190
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            27665
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         71.848
_diffrn_reflns_theta_min         3.502
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.0(3)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix3000
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -43.00 -18.00   0.50    0.25    --  -41.10  59.00  38.00   50
  2  ω   -115.00 -87.00   0.50    0.25    --  -41.10 177.00-108.00   56
  3  ω    -75.00 -50.00   0.50    0.25    --  -41.10 -63.00 100.00   50
  4  ω    -63.00 -38.00   0.50    0.25    --  -41.10 114.00 114.00   50
  5  ω    -84.00 -50.00   0.50    0.25    --  -41.10 -59.00-101.00   68
  6  ω     40.00  65.00   0.50    0.25    --   41.10  63.00-123.00   50
  7  ω     64.00  92.00   0.50    0.25    --   41.10  59.00  38.00   56
  8  ω    -15.00  36.00   0.50    0.25    --   41.10 -63.00 100.00  102
  9  ω     -2.00  35.00   0.50    0.25    --   41.10-114.00  23.00   74
 10  ω     57.00 116.00   0.50    0.25    --   41.10-177.00-113.00  118
 11  ω     89.00 116.00   0.50    1.00    --  100.00 177.00-108.00   54
 12  ω     96.00 122.00   0.50    1.00    --  100.00  63.00-123.00   52
 13  ω     95.00 120.00   0.50    1.00    --  100.00 114.00 114.00   50
 14  ω     82.00 137.00   0.50    1.00    --  100.00  59.00  38.00  110
 15  ω     39.00  68.00   0.50    1.00    --  100.00 -59.00-101.00   58
 16  ω     54.00  79.00   0.50    1.00    --  100.00 -63.00 100.00   50
 17  ω     54.00  80.00   0.50    1.00    --  100.00-114.00  23.00   52
 18  ω     64.00  90.00   0.50    0.25    --   41.10  43.00  30.00   52
 19  ω     31.00  56.00   0.50    0.25    --   41.10  43.00  30.00   50
 20  ω     61.00  91.00   0.50    0.25    --   41.10  32.00  90.00   60
 21  ω     66.00 104.00   0.50    0.25    --   41.10  32.00 -30.00   76
 22  ω     54.00  94.00   0.50    1.00    --  100.00 -25.00  30.00   80
 23  ω     84.00 152.00   0.50    1.00    --  100.00 111.00 -90.00  136
 24  ω    100.00 153.00   0.50    1.00    --  100.00  33.00  30.00  106
 25  ω     84.00 116.00   0.50    1.00    --  100.00 111.00  60.00   64
 26  ω     96.00 157.00   0.50    1.00    --  100.00  25.00-180.00  122
 27  ω     39.00 117.00   0.50    1.00    --  100.00-133.00  60.00  156
 28  ω     58.00  84.00   0.50    1.00    --  100.00 -33.00 120.00   52
 29  ω     88.00 151.00   0.50    1.00    --  100.00  17.00 -90.00  126
 30  ω     37.00 116.00   0.50    1.00    --  100.00 -50.00  30.00  158
 31  ω    125.00 151.00   0.50    1.00    --  100.00  93.00  90.00   52
 32  ω     43.00  68.00   0.50    1.00    --  100.00 177.00-108.00   50
 33  ω    -67.00 -40.00   0.50    0.25    --  -41.10 -32.00  30.00   54
 34  ω    -10.00  15.00   0.50    0.25    --   41.10 -32.00 120.00   50
 35  ω     -1.00  43.00   0.50    0.25    --   41.10 -43.00   0.00   88
 36  ω     17.00  47.00   0.50    0.25    --   41.10 -32.00 120.00   60
 37  ω     91.00 123.00   0.50    1.00    --  100.00  33.00  90.00   64
 38  ω     92.00 122.00   0.50    1.00    --  100.00  25.00 120.00   60
 39  ω     44.00  70.00   0.50    1.00    --  100.00 -93.00  60.00   52
 40  ω     36.00  64.00   0.50    1.00    --  100.00 -77.00 -60.00   56
 41  ω     40.00  66.00   0.50    1.00    --  100.00 -50.00 -60.00   52
 42  ω     91.00 116.00   0.50    1.00    --  100.00 -50.00 -60.00   50
 43  ω     77.00 111.00   0.50    1.00    --  100.00-133.00 120.00   68
 44  ω     81.00 107.00   0.50    1.00    --  100.00-111.00  90.00   52
 45  ω     39.00 106.00   0.50    1.00    --  100.00-111.00 150.00  134
 46  ω     74.00 117.00   0.50    1.00    --  100.00-133.00-120.00   86
 47  ω    100.00 126.00   0.50    1.00    --  100.00  17.00  30.00   52
 48  ω     91.00 138.00   0.50    1.00    --  100.00  33.00 -60.00   94
 49  ω    127.00 147.00   0.50    1.00    --  100.00  17.00  30.00   40
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  
'SuperNova, Single source at offset/far, HyPix3000'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0889626000
_diffrn_orient_matrix_UB_12      0.0347897000
_diffrn_orient_matrix_UB_13      0.0441132000
_diffrn_orient_matrix_UB_21      -0.0557221000
_diffrn_orient_matrix_UB_22      0.0890830000
_diffrn_orient_matrix_UB_23      -0.0092362000
_diffrn_orient_matrix_UB_31      -0.1078136000
_diffrn_orient_matrix_UB_32      -0.0173593000
_diffrn_orient_matrix_UB_33      0.0411418000
_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                3749
_reflns_number_total             3997
_reflns_odcompleteness_completeness 94.92
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     75.12
_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 1.171.42.101a (Rigaku OD, 2023)'
_computing_data_collection       'CrysAlisPro 1.171.42.101a (Rigaku OD, 2023)'
_computing_data_reduction        'CrysAlisPro 1.171.42.101a (Rigaku OD, 2023)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2014/7 (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         0.268
_refine_diff_density_min         -0.210
_refine_diff_density_rms         0.040
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     346
_refine_ls_number_reflns         3997
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0347
_refine_ls_R_factor_gt           0.0330
_refine_ls_restrained_S_all      1.047
_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)+(0.0434P)²+1.4786P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0832
_refine_ls_wR_factor_ref         0.0845
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.5 times of:
  All C(H,H,H) groups
2.a Idealised Me refined as rotating group:
 C25(H25A,H25B,H25C)
;
_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
O1 O 0.34073(7) 0.64359(4) 0.64239(3) 0.01620(17) Uani 1 1 d . . . . .
O2 O 0.09883(8) 0.74604(5) 0.64929(3) 0.02321(18) Uani 1 1 d . . . . .
O3 O 0.64113(8) 0.67094(5) 0.63658(3) 0.02415(19) Uani 1 1 d . . . . .
O4 O 0.42116(8) 0.45345(5) 0.55653(3) 0.02535(19) Uani 1 1 d . . . . .
N3 N 0.50449(8) 0.57688(5) 0.59247(3) 0.01627(19) Uani 1 1 d . . . . .
N1 N 0.17370(9) 0.58148(5) 0.59274(3) 0.01660(19) Uani 1 1 d . . . . .
N2 N 0.05917(9) 0.64375(6) 0.71193(4) 0.0199(2) Uani 1 1 d . . . . .
C2 C 0.27265(10) 0.59004(6) 0.56303(4) 0.0157(2) Uani 1 1 d . . . . .
C1 C 0.38952(10) 0.63138(6) 0.59003(4) 0.0152(2) Uani 1 1 d . . . . .
C11 C 0.41989(10) 0.71377(6) 0.56144(4) 0.0159(2) Uani 1 1 d . . . . .
C19 C 0.64142(10) 0.46116(7) 0.59274(4) 0.0178(2) Uani 1 1 d . . . . .
C10 C 0.19653(10) 0.53689(7) 0.68520(4) 0.0173(2) Uani 1 1 d . . . . .
C17 C 0.62230(10) 0.60272(7) 0.61698(4) 0.0183(2) Uani 1 1 d . . . . .
C16 C 0.50262(11) 0.71229(7) 0.51764(4) 0.0197(2) Uani 1 1 d . . . . .
C24 C 0.70970(11) 0.52812(7) 0.61492(4) 0.0189(2) Uani 1 1 d . . . . .
C4 C 0.11687(10) 0.67642(7) 0.66783(4) 0.0177(2) Uani 1 1 d . . . . .
C5 C 0.10414(11) 0.56147(7) 0.72270(4) 0.0187(2) Uani 1 1 d . . . . .
C3 C 0.21185(10) 0.60768(6) 0.64564(4) 0.0162(2) Uani 1 1 d . . . . .
C9 C 0.24908(11) 0.45665(7) 0.68625(4) 0.0204(2) Uani 1 1 d . . . . .
C18 C 0.50951(10) 0.49156(6) 0.57749(4) 0.0172(2) Uani 1 1 d . . . . .
C20 C 0.69568(11) 0.38126(7) 0.58934(5) 0.0217(2) Uani 1 1 d . . . . .
C12 C 0.35329(11) 0.78749(7) 0.57437(5) 0.0208(2) Uani 1 1 d . . . . .
C15 C 0.51828(12) 0.78413(7) 0.48677(5) 0.0237(2) Uani 1 1 d . . . . .
C23 C 0.83558(11) 0.51878(7) 0.63363(5) 0.0250(2) Uani 1 1 d . . . . .
C14 C 0.45257(12) 0.85792(7) 0.49966(5) 0.0249(2) Uani 1 1 d . . . . .
C8 C 0.21040(12) 0.40187(7) 0.72684(5) 0.0249(2) Uani 1 1 d . . . . .
C6 C 0.06343(12) 0.50787(7) 0.76273(4) 0.0239(2) Uani 1 1 d . . . . .
C22 C 0.89148(12) 0.43879(8) 0.62986(5) 0.0278(3) Uani 1 1 d . . . . .
C7 C 0.11934(13) 0.42760(8) 0.76430(5) 0.0265(3) Uani 1 1 d . . . . .
C21 C 0.82267(12) 0.37118(7) 0.60837(5) 0.0253(3) Uani 1 1 d . . . . .
C13 C 0.37075(11) 0.85941(7) 0.54350(5) 0.0254(3) Uani 1 1 d . . . . .
H9 H 0.3088(14) 0.4378(8) 0.6593(6) 0.020(3) Uiso 1 1 d . . . . .
H16 H 0.5489(14) 0.6599(9) 0.5084(6) 0.024(3) Uiso 1 1 d . . . . .
H2 H 0.2730(12) 0.5776(8) 0.5256(5) 0.017(3) Uiso 1 1 d . . . . .
H14 H 0.4657(15) 0.9096(10) 0.4787(6) 0.030(4) Uiso 1 1 d . . . . .
H21 H 0.8635(15) 0.3161(10) 0.6073(6) 0.030(4) Uiso 1 1 d . . . . .
H8 H 0.2487(15) 0.3439(10) 0.7278(6) 0.030(4) Uiso 1 1 d . . . . .
H20 H 0.6453(14) 0.3337(9) 0.5754(5) 0.022(3) Uiso 1 1 d . . . . .
H6 H -0.0028(14) 0.5255(9) 0.7878(6) 0.026(4) Uiso 1 1 d . . . . .
H13 H 0.3232(15) 0.9120(10) 0.5526(6) 0.031(4) Uiso 1 1 d . . . . .
H15 H 0.5729(14) 0.7812(9) 0.4562(6) 0.028(4) Uiso 1 1 d . . . . .
H23 H 0.8829(15) 0.5671(10) 0.6499(6) 0.030(4) Uiso 1 1 d . . . . .
H7 H 0.0927(16) 0.3902(11) 0.7917(7) 0.040(4) Uiso 1 1 d . . . . .
H12 H 0.2974(14) 0.7881(9) 0.6041(6) 0.025(3) Uiso 1 1 d . . . . .
C25 C -0.03892(13) 0.68812(8) 0.74288(5) 0.0304(3) Uani 1 1 d . . . . .
H25A H -0.0072 0.6958 0.7792 0.046 Uiso 1 1 calc R U . . .
H25B H -0.1199 0.6551 0.7434 0.046 Uiso 1 1 calc R U . . .
H25C H -0.0558 0.7434 0.7269 0.046 Uiso 1 1 calc R U . . .
H22 H 0.9807(16) 0.4291(10) 0.6419(6) 0.033(4) Uiso 1 1 d . . . . .


_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 1.4262(12) . ?
O1 C3 1.4392(12) . ?
O2 C4 1.2128(14) . ?
O3 C17 1.2046(14) . ?
O4 C18 1.2095(14) . ?
N3 C1 1.4612(13) . ?
N3 C17 1.4161(13) . ?
N3 C18 1.4054(13) . ?
N1 C2 1.2675(14) . ?
N1 C3 1.4521(13) . ?
N2 C4 1.3625(14) . ?
N2 C5 1.4096(14) . ?
N2 C25 1.4539(15) . ?
C2 C1 1.5249(14) . ?
C2 H2 0.966(13) . ?
C1 C11 1.5243(14) . ?
C11 C16 1.3930(15) . ?
C11 C12 1.3918(15) . ?
C19 C24 1.3887(15) . ?
C19 C18 1.4846(15) . ?
C19 C20 1.3858(15) . ?
C10 C5 1.3937(15) . ?
C10 C3 1.5104(14) . ?
C10 C9 1.3813(15) . ?
C17 C24 1.4838(15) . ?
C16 C15 1.3892(15) . ?
C16 H16 0.983(15) . ?
C24 C23 1.3804(16) . ?
C4 C3 1.5641(14) . ?
C5 C6 1.3846(16) . ?
C9 C8 1.4002(16) . ?
C9 H9 0.963(15) . ?
C20 C21 1.3952(17) . ?
C20 H20 0.979(14) . ?
C12 C13 1.3924(16) . ?
C12 H12 0.943(15) . ?
C15 C14 1.3880(17) . ?
C15 H15 0.953(16) . ?
C23 C22 1.3943(17) . ?
C23 H23 0.995(16) . ?
C14 C13 1.3883(17) . ?
C14 H14 0.984(15) . ?
C8 C7 1.3891(18) . ?
C8 H8 1.000(15) . ?
C6 C7 1.3959(17) . ?
C6 H6 0.968(15) . ?
C22 C21 1.3926(18) . ?
C22 H22 0.975(17) . ?
C7 H7 0.950(18) . ?
C21 H21 0.968(16) . ?
C13 H13 0.992(16) . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?

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 O1 C3 108.67(7) . . ?
C17 N3 C1 122.23(8) . . ?
C18 N3 C1 125.95(9) . . ?
C18 N3 C17 111.40(8) . . ?
C2 N1 C3 107.37(8) . . ?
C4 N2 C5 111.57(9) . . ?
C4 N2 C25 123.69(9) . . ?
C5 N2 C25 124.72(9) . . ?
N1 C2 C1 114.11(9) . . ?
N1 C2 H2 124.1(8) . . ?
C1 C2 H2 121.5(8) . . ?
O1 C1 N3 108.86(8) . . ?
O1 C1 C2 101.41(8) . . ?
O1 C1 C11 113.20(8) . . ?
N3 C1 C2 113.37(8) . . ?
N3 C1 C11 111.24(8) . . ?
C11 C1 C2 108.46(8) . . ?
C16 C11 C1 119.04(9) . . ?
C12 C11 C1 120.57(9) . . ?
C12 C11 C16 119.87(10) . . ?
C24 C19 C18 108.32(9) . . ?
C20 C19 C24 121.46(10) . . ?
C20 C19 C18 130.18(10) . . ?
C5 C10 C3 108.17(9) . . ?
C9 C10 C5 120.58(10) . . ?
C9 C10 C3 131.02(10) . . ?
O3 C17 N3 125.13(10) . . ?
O3 C17 C24 129.30(10) . . ?
N3 C17 C24 105.52(9) . . ?
C11 C16 H16 119.7(8) . . ?
C15 C16 C11 120.11(10) . . ?
C15 C16 H16 120.2(8) . . ?
C19 C24 C17 108.65(9) . . ?
C23 C24 C19 121.72(10) . . ?
C23 C24 C17 129.52(10) . . ?
O2 C4 N2 126.51(10) . . ?
O2 C4 C3 126.19(9) . . ?
N2 C4 C3 107.30(9) . . ?
C10 C5 N2 110.45(9) . . ?
C6 C5 N2 127.61(10) . . ?
C6 C5 C10 121.90(10) . . ?
O1 C3 N1 107.89(8) . . ?
O1 C3 C10 115.26(8) . . ?
O1 C3 C4 108.34(8) . . ?
N1 C3 C10 111.58(8) . . ?
N1 C3 C4 111.19(8) . . ?
C10 C3 C4 102.49(8) . . ?
C10 C9 C8 118.35(11) . . ?
C10 C9 H9 121.3(8) . . ?
C8 C9 H9 120.3(8) . . ?
O4 C18 N3 124.83(10) . . ?
O4 C18 C19 129.16(10) . . ?
N3 C18 C19 106.01(9) . . ?
C19 C20 C21 117.18(11) . . ?
C19 C20 H20 121.0(8) . . ?
C21 C20 H20 121.7(8) . . ?
C11 C12 C13 119.56(10) . . ?
C11 C12 H12 119.5(9) . . ?
C13 C12 H12 120.9(9) . . ?
C16 C15 H15 118.8(9) . . ?
C14 C15 C16 120.23(10) . . ?
C14 C15 H15 121.0(9) . . ?
C24 C23 C22 117.22(11) . . ?
C24 C23 H23 120.9(9) . . ?
C22 C23 H23 121.9(9) . . ?
C15 C14 C13 119.58(10) . . ?
C15 C14 H14 120.6(9) . . ?
C13 C14 H14 119.8(9) . . ?
C9 C8 H8 118.5(9) . . ?
C7 C8 C9 120.39(11) . . ?
C7 C8 H8 121.1(9) . . ?
C5 C6 C7 117.17(11) . . ?
C5 C6 H6 120.7(8) . . ?
C7 C6 H6 122.1(8) . . ?
C23 C22 H22 120.4(9) . . ?
C21 C22 C23 121.25(11) . . ?
C21 C22 H22 118.3(9) . . ?
C8 C7 C6 121.57(11) . . ?
C8 C7 H7 120.3(10) . . ?
C6 C7 H7 118.1(10) . . ?
C20 C21 H21 119.7(9) . . ?
C22 C21 C20 121.16(11) . . ?
C22 C21 H21 119.1(9) . . ?
C12 C13 H13 119.6(9) . . ?
C14 C13 C12 120.64(11) . . ?
C14 C13 H13 119.7(9) . . ?
N2 C25 H25A 109.5 . . ?
N2 C25 H25B 109.5 . . ?
N2 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 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 C11 C16 160.97(9) . . . . ?
O1 C1 C11 C12 -27.32(13) . . . . ?
O2 C4 C3 O1 56.03(13) . . . . ?
O2 C4 C3 N1 -62.38(14) . . . . ?
O2 C4 C3 C10 178.29(10) . . . . ?
O3 C17 C24 C19 174.30(11) . . . . ?
O3 C17 C24 C23 -1.9(2) . . . . ?
N3 C1 C11 C16 38.03(13) . . . . ?
N3 C1 C11 C12 -150.26(10) . . . . ?
N3 C17 C24 C19 -3.17(12) . . . . ?
N3 C17 C24 C23 -179.39(11) . . . . ?
N1 C2 C1 O1 1.49(11) . . . . ?
N1 C2 C1 N3 118.00(10) . . . . ?
N1 C2 C1 C11 -117.92(10) . . . . ?
N2 C4 C3 O1 -123.54(9) . . . . ?
N2 C4 C3 N1 118.06(9) . . . . ?
N2 C4 C3 C10 -1.27(11) . . . . ?
N2 C5 C6 C7 177.70(11) . . . . ?
C2 N1 C3 O1 7.57(11) . . . . ?
C2 N1 C3 C10 -120.00(9) . . . . ?
C2 N1 C3 C4 126.25(9) . . . . ?
C2 C1 C11 C16 -87.32(11) . . . . ?
C2 C1 C11 C12 84.39(12) . . . . ?
C1 O1 C3 N1 -6.70(10) . . . . ?
C1 O1 C3 C10 118.72(9) . . . . ?
C1 O1 C3 C4 -127.18(8) . . . . ?
C1 N3 C17 O3 -2.03(16) . . . . ?
C1 N3 C17 C24 175.58(9) . . . . ?
C1 N3 C18 O4 6.15(17) . . . . ?
C1 N3 C18 C19 -173.76(9) . . . . ?
C1 C11 C16 C15 171.52(10) . . . . ?
C1 C11 C12 C13 -172.08(10) . . . . ?
C11 C16 C15 C14 0.57(17) . . . . ?
C11 C12 C13 C14 0.82(18) . . . . ?
C19 C24 C23 C22 -0.62(18) . . . . ?
C19 C20 C21 C22 0.02(18) . . . . ?
C10 C5 C6 C7 0.27(17) . . . . ?
C10 C9 C8 C7 1.30(17) . . . . ?
C17 N3 C1 O1 -66.56(12) . . . . ?
C17 N3 C1 C2 -178.61(9) . . . . ?
C17 N3 C1 C11 58.84(12) . . . . ?
C17 N3 C18 O4 178.84(10) . . . . ?
C17 N3 C18 C19 -1.07(11) . . . . ?
C17 C24 C23 C22 175.18(11) . . . . ?
C16 C11 C12 C13 -0.44(16) . . . . ?
C16 C15 C14 C13 -0.20(18) . . . . ?
C24 C19 C18 O4 179.10(11) . . . . ?
C24 C19 C18 N3 -1.00(12) . . . . ?
C24 C19 C20 C21 -0.99(16) . . . . ?
C24 C23 C22 C21 -0.35(19) . . . . ?
C4 N2 C5 C10 0.56(13) . . . . ?
C4 N2 C5 C6 -177.11(11) . . . . ?
C5 N2 C4 O2 -179.05(10) . . . . ?
C5 N2 C4 C3 0.51(12) . . . . ?
C5 C10 C3 O1 119.05(10) . . . . ?
C5 C10 C3 N1 -117.46(10) . . . . ?
C5 C10 C3 C4 1.60(11) . . . . ?
C5 C10 C9 C8 -2.06(16) . . . . ?
C5 C6 C7 C8 -1.03(18) . . . . ?
C3 O1 C1 N3 -116.40(8) . . . . ?
C3 O1 C1 C2 3.37(9) . . . . ?
C3 O1 C1 C11 119.35(9) . . . . ?
C3 N1 C2 C1 -5.60(12) . . . . ?
C3 C10 C5 N2 -1.41(12) . . . . ?
C3 C10 C5 C6 176.42(10) . . . . ?
C3 C10 C9 C8 -175.90(10) . . . . ?
C9 C10 C5 N2 -176.53(10) . . . . ?
C9 C10 C5 C6 1.30(17) . . . . ?
C9 C10 C3 O1 -66.53(15) . . . . ?
C9 C10 C3 N1 56.97(15) . . . . ?
C9 C10 C3 C4 176.02(11) . . . . ?
C9 C8 C7 C6 0.25(19) . . . . ?
C18 N3 C1 O1 105.38(11) . . . . ?
C18 N3 C1 C2 -6.66(14) . . . . ?
C18 N3 C1 C11 -129.22(10) . . . . ?
C18 N3 C17 O3 -175.03(10) . . . . ?
C18 N3 C17 C24 2.58(11) . . . . ?
C18 C19 C24 C17 2.58(12) . . . . ?
C18 C19 C24 C23 179.15(10) . . . . ?
C18 C19 C20 C21 -178.29(11) . . . . ?
C20 C19 C24 C17 -175.25(10) . . . . ?
C20 C19 C24 C23 1.32(17) . . . . ?
C20 C19 C18 O4 -3.3(2) . . . . ?
C20 C19 C18 N3 176.58(11) . . . . ?
C12 C11 C16 C15 -0.25(16) . . . . ?
C15 C14 C13 C12 -0.49(19) . . . . ?
C23 C22 C21 C20 0.7(2) . . . . ?
C25 N2 C4 O2 2.40(18) . . . . ?
C25 N2 C4 C3 -178.04(10) . . . . ?
C25 N2 C5 C10 179.10(11) . . . . ?
C25 N2 C5 C6 1.42(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
;
_oxdiff_exptl_absorpt_empirical_full_max 1.574
_oxdiff_exptl_absorpt_empirical_full_min 0.697
