Bis-subporphyrin-like boron(iii) complexes derived from indolo[2,3-<i>a</i>]carbazole-based cyclic bis-BODIPYs exhibiting persistent helical chirality.
Spergen, Aswini; Bal, Pranav V.; Khan Shameer Shameem, Asif; Joshy, Arun; Nambiar, Anjana P.; Andrews, Alex P.; Sabapathi, Gokulnath; Chemical science 16 (2025) 19164–19171; doi:10.1039/d5sc04279h

data_1575786
_publ_section_title
;
 Bis-subporphyrin-like boron(iii) complexes derived from
 indolo[2,3-<i>a</i>]carbazole-based cyclic bis-BODIPYs exhibiting
 persistent helical chirality.
;
_journal_issue                   41
_journal_name_full               'Chemical science'
_journal_page_first              19164
_journal_page_last               19171
_journal_paper_doi               10.1039/d5sc04279h
_journal_volume                  16
_journal_year                    2025
_chemical_formula_moiety         'C88 H82 B2 F4 N8, C4 H8 O2'
_chemical_formula_sum            'C92 H90 B2 F4 N8 O2'
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_space_group_crystal_system      triclinic
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_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2025-04-02 deposited with the CCDC.	2025-09-16 downloaded from the CCDC.
;
_cell_angle_alpha                80.199(9)
_cell_angle_beta                 80.159(10)
_cell_angle_gamma                87.116(9)
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_cell_length_b                   16.711(4)
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_cell_measurement_temperature    140(2)
_cell_measurement_theta_max      27.50
_cell_measurement_theta_min      2.17
_cell_volume                     4466.7(19)
_computing_cell_refinement       'APEX3/SAINT (Bruker, 2016)'
_computing_data_collection       'APEX3 (Bruker, 2016)'
_computing_data_reduction        'SAINT/XPREP (Bruker, 2016)'
_computing_molecular_graphics    'ORTEP3- 2014.1(Farrugia, 1997) '
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_diffrn_detector_area_resol_mean 0
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker KAPPA APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.2066
_diffrn_reflns_av_unetI/netI     0.1833
_diffrn_reflns_Laue_measured_fraction_full 1.000
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_diffrn_reflns_limit_h_min       -19
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_diffrn_reflns_point_group_measured_fraction_full 1.000
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_exptl_crystal_colour            black
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_exptl_crystal_description       needle
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1599P)^2^+0.0887P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2381
_refine_ls_wR_factor_ref         0.3167
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6620
_reflns_number_total             15713
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5sc04279h2.cif
_cod_data_source_block           shelx_CCDC1
_cod_depositor_comments
'Adding full bibliography for 1575785--1575787.cif.'
_cod_original_cell_volume        4466.6(18)
_cod_database_code               1575786
_shelx_shelxl_version_number     2018/3
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_shelx_estimated_absorpt_t_max   0.997
_shelx_res_checksum              76298
_shelx_fab_checksum              38821