# Supplementary Information (SI) for ChemComm.
# 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_hjr-3
_database_code_depnum_ccdc_archive 'CCDC 2425792'
loop_
_audit_author_name
_audit_author_address
'Haibo Mei'
;Nanjing Forestry University
China
;
_audit_update_record             
;
2025-02-21 deposited with the CCDC.	2025-04-21 downloaded from the CCDC.
;
_audit_creation_date             2024-07-02
_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         'C26 H26 I N O4'
_chemical_formula_sum            'C26 H26 I N O4'
_chemical_formula_weight         543.38
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C H O N I'
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'
I I -0.3257 6.8362 '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                   15.9209(3)
_cell_length_b                   13.7113(2)
_cell_length_c                   22.3081(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     4869.77(13)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    12546
_cell_measurement_temperature    293.00(13)
_cell_measurement_theta_max      73.2370
_cell_measurement_theta_min      2.7740
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    10.587
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.53108
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.43.92a (Rigaku Oxford Diffraction, 2023)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_density_diffrn    1.482
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2192
_exptl_crystal_size_max          0.15
_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  0.0478
_diffrn_reflns_av_unetI/netI     0.0362
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.977
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            21453
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.977
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         73.314
_diffrn_reflns_theta_min         3.963
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      293.00(13)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     81.00 106.00   0.50    0.60    --   99.00-102.00-111.00   50
  2  ω     57.00 101.00   0.50    0.60    --   99.00-125.00 -60.00   88
  3  ω    -70.00 -33.00   0.50    0.60    --  -99.00  61.00-180.00   74
  4  ω    -70.00 -33.00   0.50    0.60    --  -99.00  61.00-150.00   74
  5  ω    -64.00 -30.00   0.50    0.60    --  -99.00  61.00 -90.00   68
  6  ω    -21.00  28.00   0.50    0.17    --  -45.87  19.00 -90.00   98
  7  ω    -20.00  18.00   0.50    0.17    --  -45.87  19.00   0.00   76
  8  ω   -105.00 -32.00   0.50    0.60    --  -99.00 102.00  -8.00  146
  9  ω    -89.00 -35.00   0.50    0.17    --  -45.87 120.00-109.00  108
 10  ω     35.00  70.00   0.50    0.60    --   99.00 -61.00 -60.00   70
 11  ω     27.00  52.00   0.50    0.60    --   99.00 -45.00 -30.00   50
 12  ω     28.00  53.00   0.50    0.60    --   99.00 -45.00  60.00   50
 13  ω     90.00 174.00   0.50    0.60    --   99.00  24.00 178.00  168
 14  ω    -17.00  29.00   0.50    0.17    --   45.87 -19.00  90.00   92
 15  ω   -165.00 -80.00   0.50    0.60    --  -99.00-120.00 165.00  170
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, DW system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0859095000
_diffrn_orient_matrix_UB_12      -0.0516533000
_diffrn_orient_matrix_UB_13      -0.0020025000
_diffrn_orient_matrix_UB_21      -0.0430367000
_diffrn_orient_matrix_UB_22      0.0942224000
_diffrn_orient_matrix_UB_23      0.0217287000
_diffrn_orient_matrix_UB_31      -0.0115640000
_diffrn_orient_matrix_UB_32      0.0328753000
_diffrn_orient_matrix_UB_33      -0.0655005000
_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                4083
_reflns_number_total             4768
_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 1.171.43.92a (Rigaku OD, 2023)'
_computing_data_collection       
'CrysAlisPro system (CCD 43.92a 64-bit (release 05-10-2023))'
_computing_data_reduction        'CrysAlisPro 1.171.43.92a (Rigaku OD, 2023)'
_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 n/a (Sheldrick, 2015)'
_computing_structure_solution    'SHELXS  (Sheldrick, 2008)'
_refine_diff_density_max         0.744
_refine_diff_density_min         -0.959
_refine_diff_density_rms         0.081
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.155
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     292
_refine_ls_number_reflns         4768
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0607
_refine_ls_R_factor_gt           0.0543
_refine_ls_restrained_S_all      1.155
_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)+(0.0382P)²+11.5117P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1344
_refine_ls_wR_factor_ref         0.1377
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C15(H15A,H15B), C17(H17A,H17B), C21(H21A,H21B), C24(H24A,H24B)
2.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C4(H4), C5(H5), C9(H9), C10(H10), C11(H11), C12(H12), C13(H13),
 C19(H19)
2.c Idealised Me refined as rotating group:
 C22(H22A,H22B,H22C), C25(H25A,H25B,H25C), C26(H26A,H26B,H26C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_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
I1 I 0.70408(2) 0.71508(3) 0.59929(2) 0.07269(17) Uani 1 1 d . . . . .
O1 O 0.3413(2) 0.9305(2) 0.55529(15) 0.0522(8) Uani 1 1 d . . . . .
O2 O 0.4788(2) 0.9588(3) 0.56793(16) 0.0567(8) Uani 1 1 d . . . . .
O3 O 0.3703(3) 0.9557(2) 0.68659(15) 0.0617(10) Uani 1 1 d . . . . .
O4 O 0.3489(4) 0.8065(3) 0.71928(17) 0.0816(14) Uani 1 1 d . . . . .
N1 N 0.3915(3) 0.5327(3) 0.51092(17) 0.0471(9) Uani 1 1 d . . . . .
C1 C 0.4254(3) 0.6950(3) 0.4927(2) 0.0432(10) Uani 1 1 d . . . . .
C2 C 0.4416(3) 0.7745(3) 0.4569(2) 0.0459(10) Uani 1 1 d . . . . .
H2 H 0.460228 0.832730 0.473752 0.055 Uiso 1 1 calc R U . . .
C3 C 0.4298(4) 0.7668(4) 0.3948(2) 0.0570(13) Uani 1 1 d . . . . .
C4 C 0.4019(3) 0.6781(4) 0.3705(2) 0.0560(12) Uani 1 1 d . . . . .
H4 H 0.392461 0.673294 0.329429 0.067 Uiso 1 1 calc R U . . .
C5 C 0.3882(4) 0.5981(4) 0.4066(2) 0.0558(12) Uani 1 1 d . . . . .
H5 H 0.371063 0.538962 0.390335 0.067 Uiso 1 1 calc R U . . .
C6 C 0.4005(3) 0.6078(3) 0.4672(2) 0.0475(10) Uani 1 1 d . . . . .
C7 C 0.4094(3) 0.5690(3) 0.5619(2) 0.0437(10) Uani 1 1 d . . . . .
C8 C 0.4044(3) 0.5079(3) 0.6160(2) 0.0461(10) Uani 1 1 d . . . . .
C9 C 0.4363(4) 0.5352(4) 0.6718(2) 0.0606(13) Uani 1 1 d . . . . .
H9 H 0.462629 0.595366 0.676158 0.073 Uiso 1 1 calc R U . . .
C10 C 0.4291(4) 0.4739(4) 0.7205(3) 0.0694(15) Uani 1 1 d . . . . .
H10 H 0.450285 0.493402 0.757451 0.083 Uiso 1 1 calc R U . . .
C11 C 0.3913(4) 0.3848(5) 0.7151(3) 0.0765(17) Uani 1 1 d . . . . .
H11 H 0.386739 0.343901 0.748210 0.092 Uiso 1 1 calc R U . . .
C12 C 0.3601(5) 0.3563(4) 0.6607(3) 0.0761(17) Uani 1 1 d . . . . .
H12 H 0.334329 0.295686 0.657030 0.091 Uiso 1 1 calc R U . . .
C13 C 0.3663(4) 0.4155(4) 0.6117(3) 0.0613(13) Uani 1 1 d . . . . .
H13 H 0.345113 0.394516 0.575083 0.074 Uiso 1 1 calc R U . . .
C14 C 0.4302(3) 0.6792(3) 0.5607(2) 0.0417(9) Uani 1 1 d . . . . .
C15 C 0.3649(3) 0.7390(3) 0.5973(2) 0.0403(9) Uani 1 1 d . . . . .
H15A H 0.319236 0.760475 0.571655 0.048 Uiso 1 1 calc R U . . .
H15B H 0.341796 0.699956 0.629549 0.048 Uiso 1 1 calc R U . . .
C16 C 0.4132(3) 0.8275(3) 0.6226(2) 0.0407(9) Uani 1 1 d . . . . .
C17 C 0.5017(3) 0.7882(4) 0.6343(2) 0.0491(11) Uani 1 1 d . . . . .
H17A H 0.543166 0.839567 0.629875 0.059 Uiso 1 1 calc R U . . .
H17B H 0.505879 0.761432 0.674440 0.059 Uiso 1 1 calc R U . . .
C18 C 0.5149(3) 0.7094(3) 0.58772(19) 0.0414(9) Uani 1 1 d . . . . .
C19 C 0.5859(3) 0.6720(3) 0.5683(2) 0.0476(11) Uani 1 1 d . . . . .
H19 H 0.583409 0.623562 0.539210 0.057 Uiso 1 1 calc R U . . .
C20 C 0.3730(3) 0.8605(3) 0.6817(2) 0.0482(11) Uani 1 1 d . . . . .
C21 C 0.3326(5) 0.9958(4) 0.7408(2) 0.0701(16) Uani 1 1 d . . . . .
H21A H 0.282924 0.958798 0.751635 0.084 Uiso 1 1 calc R U . . .
H21B H 0.372138 0.992642 0.773824 0.084 Uiso 1 1 calc R U . . .
C22 C 0.3102(8) 1.0965(6) 0.7286(4) 0.147(5) Uani 1 1 d . . . . .
H22A H 0.270294 1.098800 0.696393 0.220 Uiso 1 1 calc R U . . .
H22B H 0.359625 1.132355 0.717570 0.220 Uiso 1 1 calc R U . . .
H22C H 0.285831 1.125074 0.763882 0.220 Uiso 1 1 calc R U . . .
C23 C 0.4165(3) 0.9134(3) 0.5790(2) 0.0433(10) Uani 1 1 d . . . . .
C24 C 0.3354(4) 1.0143(4) 0.5143(3) 0.0663(15) Uani 1 1 d . . . . .
H24A H 0.286810 1.006784 0.488458 0.080 Uiso 1 1 calc R U . . .
H24B H 0.385095 1.017245 0.489241 0.080 Uiso 1 1 calc R U . . .
C25 C 0.3275(5) 1.1066(5) 0.5497(3) 0.0818(19) Uani 1 1 d . . . . .
H25A H 0.319104 1.160487 0.522851 0.123 Uiso 1 1 calc R U . . .
H25B H 0.377944 1.116917 0.572428 0.123 Uiso 1 1 calc R U . . .
H25C H 0.280520 1.101673 0.576455 0.123 Uiso 1 1 calc R U . . .
C26 C 0.4425(5) 0.8511(5) 0.3538(3) 0.0830(19) Uani 1 1 d . . . . .
H26A H 0.425498 0.910030 0.373564 0.124 Uiso 1 1 calc R U . . .
H26B H 0.409506 0.842016 0.318242 0.124 Uiso 1 1 calc R U . . .
H26C H 0.500835 0.855488 0.343172 0.124 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
I1 C19 2.089(4) . ?
O1 C23 1.329(6) . ?
O1 C24 1.472(6) . ?
O2 C23 1.198(6) . ?
O3 C20 1.310(6) . ?
O3 C21 1.459(6) . ?
O4 C20 1.182(6) . ?
N1 C6 1.426(6) . ?
N1 C7 1.274(6) . ?
C1 C2 1.376(6) . ?
C1 C6 1.382(6) . ?
C1 C14 1.534(6) . ?
C2 H2 0.9300 . ?
C2 C3 1.403(7) . ?
C3 C4 1.404(8) . ?
C3 C26 1.487(8) . ?
C4 H4 0.9300 . ?
C4 C5 1.379(8) . ?
C5 H5 0.9300 . ?
C5 C6 1.371(7) . ?
C7 C8 1.472(7) . ?
C7 C14 1.546(6) . ?
C8 C9 1.396(7) . ?
C8 C13 1.408(7) . ?
C9 H9 0.9300 . ?
C9 C10 1.378(8) . ?
C10 H10 0.9300 . ?
C10 C11 1.368(9) . ?
C11 H11 0.9300 . ?
C11 C12 1.369(9) . ?
C12 H12 0.9300 . ?
C12 C13 1.364(8) . ?
C13 H13 0.9300 . ?
C14 C15 1.556(6) . ?
C14 C18 1.535(6) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C15 C16 1.543(6) . ?
C16 C17 1.531(6) . ?
C16 C20 1.535(6) . ?
C16 C23 1.528(7) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C17 C18 1.514(6) . ?
C18 C19 1.315(7) . ?
C19 H19 0.9300 . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C21 C22 1.452(10) . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
C24 C25 1.496(9) . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
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
C23 O1 C24 116.3(4) . . ?
C20 O3 C21 117.2(4) . . ?
C7 N1 C6 107.9(4) . . ?
C2 C1 C6 120.0(4) . . ?
C2 C1 C14 132.5(4) . . ?
C6 C1 C14 107.4(4) . . ?
C1 C2 H2 120.4 . . ?
C1 C2 C3 119.2(4) . . ?
C3 C2 H2 120.4 . . ?
C2 C3 C4 119.4(5) . . ?
C2 C3 C26 122.0(5) . . ?
C4 C3 C26 118.5(5) . . ?
C3 C4 H4 119.6 . . ?
C5 C4 C3 120.8(5) . . ?
C5 C4 H4 119.6 . . ?
C4 C5 H5 120.8 . . ?
C6 C5 C4 118.5(5) . . ?
C6 C5 H5 120.8 . . ?
C1 C6 N1 111.8(4) . . ?
C5 C6 N1 126.2(4) . . ?
C5 C6 C1 122.0(5) . . ?
N1 C7 C8 119.8(4) . . ?
N1 C7 C14 114.4(4) . . ?
C8 C7 C14 125.6(4) . . ?
C9 C8 C7 123.9(4) . . ?
C9 C8 C13 117.3(5) . . ?
C13 C8 C7 118.7(4) . . ?
C8 C9 H9 119.7 . . ?
C10 C9 C8 120.6(5) . . ?
C10 C9 H9 119.7 . . ?
C9 C10 H10 119.6 . . ?
C11 C10 C9 120.8(6) . . ?
C11 C10 H10 119.6 . . ?
C10 C11 H11 120.2 . . ?
C10 C11 C12 119.5(6) . . ?
C12 C11 H11 120.2 . . ?
C11 C12 H12 119.5 . . ?
C13 C12 C11 120.9(6) . . ?
C13 C12 H12 119.5 . . ?
C8 C13 H13 119.6 . . ?
C12 C13 C8 120.8(5) . . ?
C12 C13 H13 119.6 . . ?
C1 C14 C7 98.4(3) . . ?
C1 C14 C15 114.3(4) . . ?
C1 C14 C18 113.2(4) . . ?
C7 C14 C15 111.3(4) . . ?
C18 C14 C7 116.4(4) . . ?
C18 C14 C15 103.8(3) . . ?
C14 C15 H15A 110.6 . . ?
C14 C15 H15B 110.6 . . ?
H15A C15 H15B 108.7 . . ?
C16 C15 C14 105.9(3) . . ?
C16 C15 H15A 110.6 . . ?
C16 C15 H15B 110.6 . . ?
C17 C16 C15 104.2(4) . . ?
C17 C16 C20 109.9(4) . . ?
C20 C16 C15 109.8(4) . . ?
C23 C16 C15 112.9(4) . . ?
C23 C16 C17 110.4(4) . . ?
C23 C16 C20 109.5(4) . . ?
C16 C17 H17A 110.7 . . ?
C16 C17 H17B 110.7 . . ?
H17A C17 H17B 108.8 . . ?
C18 C17 C16 105.2(3) . . ?
C18 C17 H17A 110.7 . . ?
C18 C17 H17B 110.7 . . ?
C17 C18 C14 109.9(4) . . ?
C19 C18 C14 121.4(4) . . ?
C19 C18 C17 128.6(4) . . ?
I1 C19 H19 118.1 . . ?
C18 C19 I1 123.7(4) . . ?
C18 C19 H19 118.1 . . ?
O3 C20 C16 112.3(4) . . ?
O4 C20 O3 123.7(5) . . ?
O4 C20 C16 124.0(4) . . ?
O3 C21 H21A 110.2 . . ?
O3 C21 H21B 110.2 . . ?
H21A C21 H21B 108.5 . . ?
C22 C21 O3 107.7(5) . . ?
C22 C21 H21A 110.2 . . ?
C22 C21 H21B 110.2 . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
O1 C23 C16 111.0(4) . . ?
O2 C23 O1 124.9(4) . . ?
O2 C23 C16 124.1(4) . . ?
O1 C24 H24A 109.7 . . ?
O1 C24 H24B 109.7 . . ?
O1 C24 C25 109.8(5) . . ?
H24A C24 H24B 108.2 . . ?
C25 C24 H24A 109.7 . . ?
C25 C24 H24B 109.7 . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C3 C26 H26A 109.5 . . ?
C3 C26 H26B 109.5 . . ?
C3 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
N1 C7 C8 C9 168.4(5) . . . . ?
N1 C7 C8 C13 -10.7(7) . . . . ?
N1 C7 C14 C1 -4.0(5) . . . . ?
N1 C7 C14 C15 116.3(4) . . . . ?
N1 C7 C14 C18 -125.1(4) . . . . ?
C1 C2 C3 C4 -0.1(8) . . . . ?
C1 C2 C3 C26 177.3(6) . . . . ?
C1 C14 C15 C16 -100.7(4) . . . . ?
C1 C14 C18 C17 120.4(4) . . . . ?
C1 C14 C18 C19 -56.5(6) . . . . ?
C2 C1 C6 N1 176.6(4) . . . . ?
C2 C1 C6 C5 -2.3(7) . . . . ?
C2 C1 C14 C7 -175.5(5) . . . . ?
C2 C1 C14 C15 66.6(6) . . . . ?
C2 C1 C14 C18 -52.0(7) . . . . ?
C2 C3 C4 C5 -1.7(8) . . . . ?
C3 C4 C5 C6 1.6(8) . . . . ?
C4 C5 C6 N1 -178.3(5) . . . . ?
C4 C5 C6 C1 0.4(8) . . . . ?
C6 N1 C7 C8 179.2(4) . . . . ?
C6 N1 C7 C14 2.6(5) . . . . ?
C6 C1 C2 C3 2.1(7) . . . . ?
C6 C1 C14 C7 3.7(5) . . . . ?
C6 C1 C14 C15 -114.2(4) . . . . ?
C6 C1 C14 C18 127.2(4) . . . . ?
C7 N1 C6 C1 0.1(5) . . . . ?
C7 N1 C6 C5 178.9(5) . . . . ?
C7 C8 C9 C10 180.0(5) . . . . ?
C7 C8 C13 C12 -179.9(5) . . . . ?
C7 C14 C15 C16 149.0(4) . . . . ?
C7 C14 C18 C17 -126.7(4) . . . . ?
C7 C14 C18 C19 56.4(6) . . . . ?
C8 C7 C14 C1 179.7(4) . . . . ?
C8 C7 C14 C15 -60.1(6) . . . . ?
C8 C7 C14 C18 58.5(6) . . . . ?
C8 C9 C10 C11 0.5(10) . . . . ?
C9 C8 C13 C12 1.0(9) . . . . ?
C9 C10 C11 C12 0.0(11) . . . . ?
C10 C11 C12 C13 0.0(11) . . . . ?
C11 C12 C13 C8 -0.5(10) . . . . ?
C13 C8 C9 C10 -1.0(8) . . . . ?
C14 C1 C2 C3 -178.8(5) . . . . ?
C14 C1 C6 N1 -2.7(5) . . . . ?
C14 C1 C6 C5 178.4(5) . . . . ?
C14 C7 C8 C9 -15.4(8) . . . . ?
C14 C7 C8 C13 165.5(5) . . . . ?
C14 C15 C16 C17 -33.5(5) . . . . ?
C14 C15 C16 C20 -151.2(4) . . . . ?
C14 C15 C16 C23 86.3(4) . . . . ?
C14 C18 C19 I1 176.3(3) . . . . ?
C15 C14 C18 C17 -4.1(5) . . . . ?
C15 C14 C18 C19 179.0(4) . . . . ?
C15 C16 C17 C18 30.4(5) . . . . ?
C15 C16 C20 O3 -140.1(4) . . . . ?
C15 C16 C20 O4 41.5(7) . . . . ?
C15 C16 C23 O1 46.2(5) . . . . ?
C15 C16 C23 O2 -133.8(5) . . . . ?
C16 C17 C18 C14 -16.5(5) . . . . ?
C16 C17 C18 C19 160.1(5) . . . . ?
C17 C16 C20 O3 105.8(5) . . . . ?
C17 C16 C20 O4 -72.6(7) . . . . ?
C17 C16 C23 O1 162.3(4) . . . . ?
C17 C16 C23 O2 -17.7(6) . . . . ?
C17 C18 C19 I1 0.1(7) . . . . ?
C18 C14 C15 C16 23.0(4) . . . . ?
C20 O3 C21 C22 -160.9(7) . . . . ?
C20 C16 C17 C18 148.0(4) . . . . ?
C20 C16 C23 O1 -76.5(4) . . . . ?
C20 C16 C23 O2 103.5(5) . . . . ?
C21 O3 C20 O4 -2.2(9) . . . . ?
C21 O3 C20 C16 179.4(5) . . . . ?
C23 O1 C24 C25 -80.8(6) . . . . ?
C23 C16 C17 C18 -91.1(4) . . . . ?
C23 C16 C20 O3 -15.6(6) . . . . ?
C23 C16 C20 O4 166.0(5) . . . . ?
C24 O1 C23 O2 -2.5(7) . . . . ?
C24 O1 C23 C16 177.6(4) . . . . ?
C26 C3 C4 C5 -179.3(6) . . . . ?

_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 1.739
_oxdiff_exptl_absorpt_empirical_full_min 0.673
