Introducing the substituted azobispyrrole framework: synthesis and properties.
Alkaş, Adil; Diaz-Rodriguez, Roberto M; Sequeira, Steve O.; Hilborn, James W.; Atansi, Mmasinachi; Sullivan, Em C.; Brown, Emily B.; Gapare, Rosinah Liandrah; Mutus, Bulent; Robertson, Katherine N.; Thompson, Alison; Chemical communications (Cambridge, England) 61 (2025) 11649–11652; doi:10.1039/d5cc02884a

data_7134793
_publ_section_title
;
 Introducing the substituted azobispyrrole framework: synthesis and
 properties.
;
_journal_issue                   62
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              11649
_journal_page_last               11652
_journal_paper_doi               10.1039/d5cc02884a
_journal_volume                  61
_journal_year                    2025
_chemical_formula_moiety         '2(0.5(C38 H36 N4)), H2 O'
_chemical_formula_sum            'C38 H38 N4 O'
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_audit_update_record
;
2024-12-15 deposited with the CCDC.	2025-06-20 downloaded from the CCDC.
;
_cell_angle_alpha                105.7410(14)
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_computing_cell_refinement       'SAINT V8.40B (Bruker AXS LLC, 2019)'
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_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device       '\k--geometry diffractometer'
_diffrn_measurement_device_type  'Bruker D8 VENTURE'
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_diffrn_reflns_point_group_measured_fraction_full 0.999
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_exptl_absorpt_coefficient_mu    0.074
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Krause, L., Herbst-Irmer, R., Sheldrick, G. M., Stalke, D. (2015).
J. Appl. Cryst. 48, 3-10.
;
_exptl_crystal_colour            red-orange
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_exptl_crystal_description       'flat rod'
_exptl_crystal_F_000             604
_exptl_crystal_size_max          0.153
_exptl_crystal_size_mid          0.039
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_refine_diff_density_max         0.262
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_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     408
_refine_ls_number_reflns         6366
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.085
_refine_ls_R_factor_all          0.0848
_refine_ls_R_factor_gt           0.0513
_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/[\s^2^(Fo^2^)+(0.0608P)^2^+0.8412P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1209
_refine_ls_wR_factor_ref         0.1477
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4569
_reflns_number_total             6366
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5cc02884a2.cif
_cod_data_source_block           AT021C
_cod_depositor_comments
'Adding full bibliography for 7134793--7134795.cif.'
_cod_database_code               7134793
_shelx_shelxl_version_number     2019/3
_shelx_estimated_absorpt_t_min   0.989
_shelx_estimated_absorpt_t_max   0.998
_diffrn_source_source            'microfocus sealed tube'
_shelx_res_checksum              76030
_shelx_hkl_checksum              11387