# 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_hjk_0ma_a
_audit_block_doi                 10.5517/ccdc.csd.cc2m4b59
_database_code_depnum_ccdc_archive 'CCDC 2417230'
loop_
_audit_author_name
_audit_author_address
'Yogesh yadav'
;jnu
India
;
_audit_update_record             
;
2025-01-15 deposited with the CCDC.	2025-02-14 downloaded from the CCDC.
;
_audit_creation_date             2025-01-06
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_shelx_SHELXL_version_number     2019/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C25 H25 Cl N3 O11, 1[CHCl3]'
_chemical_formula_sum            'C26 H26 Cl4 N3 O11'
_chemical_formula_weight         698.30
_chemical_absolute_configuration unk
_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 0.0033 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'
Cl Cl 0.1484 0.1585 '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      orthorhombic
_space_group_IT_number           18
_space_group_name_H-M_alt        'P 21 21 2'
_space_group_name_Hall           'P 2 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'-x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, -z'

_cell_length_a                   28.092(2)
_cell_length_b                   10.0764(8)
_cell_length_c                   11.5164(9)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     3259.9(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    7864
_cell_measurement_temperature    300.00
_cell_measurement_theta_min      2.29
_cell_measurement_theta_max      25.35
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.423
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.5701
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1375 before and 0.0651 after correction.
The Ratio of minimum to maximum transmission is 0.7645.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.423
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       unk
_exptl_crystal_F_000             1436
_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  0.0542
_diffrn_reflns_av_unetI/netI     0.0540
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       -37
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            28000
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.346
_diffrn_reflns_theta_min         2.782
_diffrn_ambient_temperature      300.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.786
_reflns_Friedel_fraction_full    0.998
_reflns_Friedel_fraction_max     0.996
_reflns_number_gt                5142
_reflns_number_total             8104
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    ?
_refine_diff_density_max         0.209
_refine_diff_density_min         -0.163
_refine_diff_density_rms         0.033
_refine_ls_abs_structure_details 
;
 Flack x determined using 1675 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.05(4)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     366
_refine_ls_number_reflns         8104
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0863
_refine_ls_R_factor_gt           0.0492
_refine_ls_restrained_S_all      1.026
_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)+(0.0710P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1233
_refine_ls_wR_factor_ref         0.1412
_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 Ternary CH refined with riding coordinates:
 C12(H12), C13(H13), C14(H14), C15(H15), C16(H16)
2.b Secondary CH2 refined with riding coordinates:
 C10(H10A,H10B), C20(H20A,H20B)
2.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C5(H5), C6(H6)
2.d Idealised Me refined as rotating group:
 C11(H11A,H11B,H11C), C22(H22A,H22B,H22C), C23(H23A,H23B,H23C), C24(H24A,H24B,
 H24C), C25(H25A,H25B,H25C)
;
_atom_sites_solution_hydrogens   geom
_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
Cl1 Cl 0.11506(4) 0.55275(11) 1.16008(9) 0.0824(3) Uani 1 1 d . . . . .
O2 O 0.43081(14) 0.4092(4) 0.5019(3) 0.1272(14) Uani 1 1 d . . . . .
O3 O 0.20467(9) 1.1579(2) 0.7492(2) 0.0719(7) Uani 1 1 d . . . . .
O4 O 0.29513(7) 0.5560(2) 0.72017(17) 0.0525(5) Uani 1 1 d . . . . .
O5 O 0.18621(11) 1.0627(3) 0.9178(2) 0.0898(9) Uani 1 1 d . . . . .
O6 O 0.38018(8) 0.5558(2) 0.86032(17) 0.0576(5) Uani 1 1 d . . . . .
O7 O 0.42123(14) 0.6734(4) 0.9891(3) 0.1263(14) Uani 1 1 d . . . . .
O8 O 0.43567(8) 0.6782(3) 0.6994(2) 0.0744(7) Uani 1 1 d . . . . .
O9 O 0.38548(9) 0.5912(3) 0.49390(19) 0.0736(7) Uani 1 1 d . . . . .
O10 O 0.31800(10) 0.3357(3) 0.5688(2) 0.0737(7) Uani 1 1 d . . . . .
O11 O 0.3062(2) 0.2458(5) 0.3982(3) 0.174(2) Uani 1 1 d . . . . .
N1 N 0.29992(9) 0.8694(3) 0.6980(2) 0.0590(7) Uani 1 1 d . . . . .
N2 N 0.27490(9) 0.9767(3) 0.7073(2) 0.0562(6) Uani 1 1 d . . . . .
N3 N 0.28417(9) 0.7816(3) 0.7796(2) 0.0515(6) Uani 1 1 d . . . . .
C1 C 0.21859(10) 0.7604(3) 0.9256(2) 0.0480(7) Uani 1 1 d . . . . .
C2 C 0.21272(12) 0.8021(3) 1.0389(3) 0.0557(8) Uani 1 1 d . . . . .
H2 H 0.229750 0.874952 1.065895 0.067 Uiso 1 1 calc R U . . .
C3 C 0.18204(13) 0.7371(4) 1.1123(3) 0.0638(9) Uani 1 1 d . . . . .
H3 H 0.178488 0.765467 1.188629 0.077 Uiso 1 1 calc R U . . .
C4 C 0.15657(11) 0.6298(3) 1.0721(3) 0.0555(8) Uani 1 1 d . . . . .
C5 C 0.16211(13) 0.5851(3) 0.9599(3) 0.0662(9) Uani 1 1 d . . . . .
H5 H 0.144867 0.512269 0.933560 0.079 Uiso 1 1 calc R U . . .
C6 C 0.19342(12) 0.6492(3) 0.8872(3) 0.0617(8) Uani 1 1 d . . . . .
H6 H 0.197855 0.618344 0.811835 0.074 Uiso 1 1 calc R U . . .
C7 C 0.24776(10) 0.8347(3) 0.8411(2) 0.0487(7) Uani 1 1 d . . . . .
C8 C 0.24228(10) 0.9596(3) 0.7950(3) 0.0490(7) Uani 1 1 d . . . . .
C9 C 0.20848(12) 1.0624(3) 0.8281(3) 0.0607(8) Uani 1 1 d . . . . .
C10 C 0.17325(17) 1.2674(4) 0.7802(4) 0.0889(12) Uani 1 1 d . . . . .
H10A H 0.142214 1.233562 0.802221 0.107 Uiso 1 1 calc R U . . .
H10B H 0.186344 1.315816 0.845691 0.107 Uiso 1 1 calc R U . . .
C11 C 0.1688(2) 1.3540(5) 0.6816(5) 0.1068(16) Uani 1 1 d . . . . .
H11A H 0.199667 1.387024 0.660342 0.160 Uiso 1 1 calc R U . . .
H11B H 0.148395 1.427140 0.701036 0.160 Uiso 1 1 calc R U . . .
H11C H 0.155418 1.305790 0.617589 0.160 Uiso 1 1 calc R U . . .
C12 C 0.30846(10) 0.6539(3) 0.7985(3) 0.0475(6) Uani 1 1 d . . . . .
H12 H 0.298347 0.622652 0.875180 0.057 Uiso 1 1 calc R U . . .
C13 C 0.36245(11) 0.6732(3) 0.8056(3) 0.0517(7) Uani 1 1 d . . . . .
H13 H 0.370034 0.751492 0.852508 0.062 Uiso 1 1 calc R U . . .
C14 C 0.38489(10) 0.6851(3) 0.6852(3) 0.0555(8) Uani 1 1 d . . . . .
H14 H 0.375887 0.769552 0.649101 0.067 Uiso 1 1 calc R U . . .
C15 C 0.36879(10) 0.5705(4) 0.6106(2) 0.0542(8) Uani 1 1 d . . . . .
H15 H 0.380719 0.486188 0.641592 0.065 Uiso 1 1 calc R U . . .
C16 C 0.31445(10) 0.5696(4) 0.6043(3) 0.0547(8) Uani 1 1 d . . . . .
H16 H 0.303583 0.653870 0.571090 0.066 Uiso 1 1 calc R U . . .
C17 C 0.41004(14) 0.5688(5) 0.9510(4) 0.0787(11) Uani 1 1 d . . . . .
C19 C 0.41642(15) 0.5003(6) 0.4496(4) 0.0928(14) Uani 1 1 d . . . . .
C20 C 0.29511(13) 0.4573(4) 0.5324(3) 0.0739(10) Uani 1 1 d . . . . .
H20A H 0.260949 0.450360 0.543136 0.089 Uiso 1 1 calc R U . . .
H20B H 0.301374 0.473422 0.450795 0.089 Uiso 1 1 calc R U . . .
C21 C 0.32388(16) 0.2407(5) 0.4907(3) 0.0848(12) Uani 1 1 d . . . . .
C22 C 0.42472(17) 0.4395(6) 0.9970(4) 0.1030(15) Uani 1 1 d . . . . .
H22A H 0.443694 0.452297 1.065429 0.155 Uiso 1 1 calc R U . . .
H22B H 0.443063 0.393214 0.939511 0.155 Uiso 1 1 calc R U . . .
H22C H 0.397006 0.388243 1.016250 0.155 Uiso 1 1 calc R U . . .
C23 C 0.51192(14) 0.7698(7) 0.7029(6) 0.130(2) Uani 1 1 d . . . . .
H23A H 0.517209 0.763315 0.785053 0.194 Uiso 1 1 calc R U . . .
H23B H 0.529679 0.843387 0.672375 0.194 Uiso 1 1 calc R U . . .
H23C H 0.522176 0.689400 0.665887 0.194 Uiso 1 1 calc R U . . .
C24 C 0.4299(3) 0.5358(11) 0.3285(5) 0.196(4) Uani 1 1 d . . . . .
H24A H 0.456562 0.483069 0.304619 0.294 Uiso 1 1 calc R U . . .
H24B H 0.438228 0.628129 0.325134 0.294 Uiso 1 1 calc R U . . .
H24C H 0.403423 0.519270 0.277701 0.294 Uiso 1 1 calc R U . . .
C25 C 0.35403(19) 0.1319(5) 0.5320(4) 0.0942(14) Uani 1 1 d . . . . .
H25A H 0.334896 0.054051 0.543696 0.141 Uiso 1 1 calc R U . . .
H25B H 0.368730 0.156777 0.604029 0.141 Uiso 1 1 calc R U . . .
H25C H 0.378212 0.113399 0.475364 0.141 Uiso 1 1 calc R U . . .
O1 O 0.44181(14) 0.8892(4) 0.6529(7) 0.171(3) Uani 1 1 d . . . . .
C26 C 0.46063(15) 0.7905(5) 0.6804(5) 0.0875(13) Uani 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
Cl1 C4 1.729(3) . ?
O2 C19 1.170(6) . ?
O3 C9 1.328(4) . ?
O3 C10 1.458(4) . ?
O4 C12 1.388(3) . ?
O4 C16 1.447(4) . ?
O5 C9 1.208(4) . ?
O6 C13 1.429(4) . ?
O6 C17 1.346(4) . ?
O7 C17 1.184(5) . ?
O8 C14 1.438(4) . ?
O8 C26 1.349(5) . ?
O9 C15 1.439(4) . ?
O9 C19 1.362(5) . ?
O10 C20 1.446(5) . ?
O10 C21 1.324(5) . ?
O11 C21 1.177(5) . ?
N1 N2 1.295(4) . ?
N1 N3 1.364(3) . ?
N2 C8 1.375(4) . ?
N3 C7 1.355(4) . ?
N3 C12 1.473(4) . ?
C1 C2 1.381(4) . ?
C1 C6 1.397(4) . ?
C1 C7 1.475(4) . ?
C2 H2 0.9300 . ?
C2 C3 1.373(5) . ?
C3 H3 0.9300 . ?
C3 C4 1.377(5) . ?
C4 C5 1.378(5) . ?
C5 H5 0.9300 . ?
C5 C6 1.376(5) . ?
C6 H6 0.9300 . ?
C7 C8 1.375(4) . ?
C8 C9 1.456(4) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C10 C11 1.438(6) . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 H12 0.9800 . ?
C12 C13 1.531(4) . ?
C13 H13 0.9800 . ?
C13 C14 1.528(4) . ?
C14 H14 0.9800 . ?
C14 C15 1.509(5) . ?
C15 H15 0.9800 . ?
C15 C16 1.528(4) . ?
C16 H16 0.9800 . ?
C16 C20 1.503(5) . ?
C17 C22 1.465(6) . ?
C19 C24 1.489(7) . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C21 C25 1.465(7) . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C23 C26 1.479(7) . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
O1 C26 1.170(6) . ?

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
C9 O3 C10 115.4(3) . . ?
C12 O4 C16 115.5(2) . . ?
C17 O6 C13 118.7(3) . . ?
C26 O8 C14 117.2(3) . . ?
C19 O9 C15 117.4(3) . . ?
C21 O10 C20 118.1(3) . . ?
N2 N1 N3 108.0(2) . . ?
N1 N2 C8 108.5(3) . . ?
N1 N3 C12 121.2(2) . . ?
C7 N3 N1 110.4(2) . . ?
C7 N3 C12 128.2(2) . . ?
C2 C1 C6 118.9(3) . . ?
C2 C1 C7 122.4(3) . . ?
C6 C1 C7 118.6(3) . . ?
C1 C2 H2 119.6 . . ?
C3 C2 C1 120.8(3) . . ?
C3 C2 H2 119.6 . . ?
C2 C3 H3 120.2 . . ?
C2 C3 C4 119.6(3) . . ?
C4 C3 H3 120.2 . . ?
C3 C4 Cl1 120.4(3) . . ?
C3 C4 C5 120.9(3) . . ?
C5 C4 Cl1 118.6(3) . . ?
C4 C5 H5 120.3 . . ?
C6 C5 C4 119.3(3) . . ?
C6 C5 H5 120.3 . . ?
C1 C6 H6 119.7 . . ?
C5 C6 C1 120.5(3) . . ?
C5 C6 H6 119.7 . . ?
N3 C7 C1 124.3(3) . . ?
N3 C7 C8 104.1(3) . . ?
C8 C7 C1 131.0(3) . . ?
N2 C8 C7 108.9(3) . . ?
N2 C8 C9 122.5(3) . . ?
C7 C8 C9 128.6(3) . . ?
O3 C9 C8 112.9(3) . . ?
O5 C9 O3 122.9(3) . . ?
O5 C9 C8 124.2(3) . . ?
O3 C10 H10A 110.0 . . ?
O3 C10 H10B 110.0 . . ?
H10A C10 H10B 108.4 . . ?
C11 C10 O3 108.5(4) . . ?
C11 C10 H10A 110.0 . . ?
C11 C10 H10B 110.0 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
O4 C12 N3 113.6(2) . . ?
O4 C12 H12 106.2 . . ?
O4 C12 C13 113.1(2) . . ?
N3 C12 H12 106.2 . . ?
N3 C12 C13 110.9(2) . . ?
C13 C12 H12 106.2 . . ?
O6 C13 C12 105.3(2) . . ?
O6 C13 H13 110.3 . . ?
O6 C13 C14 108.8(2) . . ?
C12 C13 H13 110.3 . . ?
C14 C13 C12 111.7(2) . . ?
C14 C13 H13 110.3 . . ?
O8 C14 C13 107.6(3) . . ?
O8 C14 H14 110.3 . . ?
O8 C14 C15 109.0(3) . . ?
C13 C14 H14 110.3 . . ?
C15 C14 C13 109.4(3) . . ?
C15 C14 H14 110.3 . . ?
O9 C15 C14 108.8(3) . . ?
O9 C15 H15 110.7 . . ?
O9 C15 C16 106.3(2) . . ?
C14 C15 H15 110.7 . . ?
C14 C15 C16 109.3(3) . . ?
C16 C15 H15 110.7 . . ?
O4 C16 C15 109.3(2) . . ?
O4 C16 H16 109.0 . . ?
O4 C16 C20 107.5(3) . . ?
C15 C16 H16 109.0 . . ?
C20 C16 C15 113.1(3) . . ?
C20 C16 H16 109.0 . . ?
O6 C17 C22 111.7(4) . . ?
O7 C17 O6 122.6(4) . . ?
O7 C17 C22 125.7(4) . . ?
O2 C19 O9 123.7(4) . . ?
O2 C19 C24 125.7(5) . . ?
O9 C19 C24 110.5(5) . . ?
O10 C20 C16 108.5(3) . . ?
O10 C20 H20A 110.0 . . ?
O10 C20 H20B 110.0 . . ?
C16 C20 H20A 110.0 . . ?
C16 C20 H20B 110.0 . . ?
H20A C20 H20B 108.4 . . ?
O10 C21 C25 113.1(3) . . ?
O11 C21 O10 122.1(5) . . ?
O11 C21 C25 124.8(5) . . ?
C17 C22 H22A 109.5 . . ?
C17 C22 H22B 109.5 . . ?
C17 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C26 C23 H23A 109.5 . . ?
C26 C23 H23B 109.5 . . ?
C26 C23 H23C 109.5 . . ?
C19 C24 H24A 109.5 . . ?
C19 C24 H24B 109.5 . . ?
C19 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C21 C25 H25A 109.5 . . ?
C21 C25 H25B 109.5 . . ?
C21 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
O8 C26 C23 111.1(5) . . ?
O1 C26 O8 121.5(4) . . ?
O1 C26 C23 127.4(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
Cl1 C4 C5 C6 177.0(3) . . . . ?
O4 C12 C13 O6 -69.5(3) . . . . ?
O4 C12 C13 C14 48.4(4) . . . . ?
O4 C16 C20 O10 -72.2(3) . . . . ?
O6 C13 C14 O8 -53.8(3) . . . . ?
O6 C13 C14 C15 64.5(3) . . . . ?
O8 C14 C15 O9 -69.4(3) . . . . ?
O8 C14 C15 C16 174.8(2) . . . . ?
O9 C15 C16 O4 -177.1(3) . . . . ?
O9 C15 C16 C20 63.2(4) . . . . ?
N1 N2 C8 C7 -0.2(3) . . . . ?
N1 N2 C8 C9 179.9(3) . . . . ?
N1 N3 C7 C1 171.8(3) . . . . ?
N1 N3 C7 C8 -0.9(3) . . . . ?
N1 N3 C12 O4 -82.2(3) . . . . ?
N1 N3 C12 C13 46.4(4) . . . . ?
N2 N1 N3 C7 0.8(3) . . . . ?
N2 N1 N3 C12 -174.3(2) . . . . ?
N2 C8 C9 O3 15.3(4) . . . . ?
N2 C8 C9 O5 -164.3(3) . . . . ?
N3 N1 N2 C8 -0.3(3) . . . . ?
N3 C7 C8 N2 0.6(3) . . . . ?
N3 C7 C8 C9 -179.5(3) . . . . ?
N3 C12 C13 O6 161.6(2) . . . . ?
N3 C12 C13 C14 -80.5(3) . . . . ?
C1 C2 C3 C4 -0.5(5) . . . . ?
C1 C7 C8 N2 -171.3(3) . . . . ?
C1 C7 C8 C9 8.5(5) . . . . ?
C2 C1 C6 C5 2.2(5) . . . . ?
C2 C1 C7 N3 125.3(3) . . . . ?
C2 C1 C7 C8 -64.1(4) . . . . ?
C2 C3 C4 Cl1 -176.0(3) . . . . ?
C2 C3 C4 C5 1.2(5) . . . . ?
C3 C4 C5 C6 -0.3(5) . . . . ?
C4 C5 C6 C1 -1.4(5) . . . . ?
C6 C1 C2 C3 -1.2(5) . . . . ?
C6 C1 C7 N3 -59.3(4) . . . . ?
C6 C1 C7 C8 111.3(4) . . . . ?
C7 N3 C12 O4 103.6(3) . . . . ?
C7 N3 C12 C13 -127.7(3) . . . . ?
C7 C1 C2 C3 174.2(3) . . . . ?
C7 C1 C6 C5 -173.5(3) . . . . ?
C7 C8 C9 O3 -164.5(3) . . . . ?
C7 C8 C9 O5 15.9(6) . . . . ?
C9 O3 C10 C11 -173.6(4) . . . . ?
C10 O3 C9 O5 2.8(5) . . . . ?
C10 O3 C9 C8 -176.8(3) . . . . ?
C12 O4 C16 C15 58.3(4) . . . . ?
C12 O4 C16 C20 -178.6(2) . . . . ?
C12 N3 C7 C1 -13.5(4) . . . . ?
C12 N3 C7 C8 173.8(3) . . . . ?
C12 C13 C14 O8 -169.6(3) . . . . ?
C12 C13 C14 C15 -51.3(4) . . . . ?
C13 O6 C17 O7 2.0(6) . . . . ?
C13 O6 C17 C22 179.9(3) . . . . ?
C13 C14 C15 O9 173.2(2) . . . . ?
C13 C14 C15 C16 57.4(3) . . . . ?
C14 O8 C26 C23 177.7(4) . . . . ?
C14 O8 C26 O1 -0.4(8) . . . . ?
C14 C15 C16 O4 -59.7(4) . . . . ?
C14 C15 C16 C20 -179.4(3) . . . . ?
C15 O9 C19 O2 -1.9(7) . . . . ?
C15 O9 C19 C24 179.7(6) . . . . ?
C15 C16 C20 O10 48.5(4) . . . . ?
C16 O4 C12 N3 74.8(3) . . . . ?
C16 O4 C12 C13 -52.7(3) . . . . ?
C17 O6 C13 C12 -130.0(3) . . . . ?
C17 O6 C13 C14 110.1(3) . . . . ?
C19 O9 C15 C14 117.5(4) . . . . ?
C19 O9 C15 C16 -124.8(4) . . . . ?
C20 O10 C21 O11 -9.4(7) . . . . ?
C20 O10 C21 C25 170.7(4) . . . . ?
C21 O10 C20 C16 -149.9(3) . . . . ?
C26 O8 C14 C13 -110.0(4) . . . . ?
C26 O8 C14 C15 131.5(3) . . . . ?

_smtbx_masks_special_details     
;
A solvent mask was calculated and 184 electrons were 
found in a volume of 646Å³ in 2 voids per unit cell. 
This is consistent with the presence of 
1[CHCl3] per Asymmetric Unit 
which account for 232 electrons 
per unit cell.
;
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 0.000 0.195 8.2 0.0 ?
2 0.000 0.500 0.778 314.8 92.5 '2 CHCl3'
3 0.500 0.000 0.222 314.8 92.5 '2 CHCl3'
4 0.500 0.500 0.805 8.2 0.0 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
