Double intramolecular hydrogen transfer assisted dual emission in a carbazole-embedded porphyrin-like macrocycle.
Kalaiselvan, Arumugan; Spergen, Aswini; Krishna, Isukapalli Sai Vamsi; Reddy, Vennapusa Sivaranjana; Gokulnath, Sabapathi; Chemical communications (Cambridge, England) 57 (2021) 4420–4423; doi:10.1039/d1cc00868d

data_7128054
_publ_section_title
;
 Double intramolecular hydrogen transfer assisted dual emission in a
 carbazole-embedded porphyrin-like macrocycle.
;
_journal_issue                   36
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              4420
_journal_page_last               4423
_journal_paper_doi               10.1039/d1cc00868d
_journal_volume                  57
_journal_year                    2021
_chemical_formula_moiety         'C46 H30 F10 N4'
_chemical_formula_sum            'C46 H30 F10 N4'
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_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2021-01-29 deposited with the CCDC.	2021-03-23 downloaded from the CCDC.
;
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_computing_data_collection       'APEX3 (Bruker, 2016)'
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_computing_molecular_graphics
'ORTEP3 (Farrugia, 1997) and Mercury (Bruno et al., 2002)'
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_diffrn_detector_area_resol_mean 0
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_diffrn_measurement_device_type  'Bruker KAPPA APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_point_group_measured_fraction_full 0.999
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_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    0.118
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_exptl_crystal_colour            violet
_exptl_crystal_density_diffrn    1.427
_exptl_crystal_density_meas      1.427
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_exptl_crystal_description       plate
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_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^)+(0.0465P)^2^+1.7867P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1067
_refine_ls_wR_factor_ref         0.1453
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3783
_reflns_number_total             7580
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1cc00868d2.cif
_cod_data_source_block           shelx_CCDC1
_cod_depositor_comments
'Adding full bibliography for 7128053--7128055.cif.'
_cod_original_cell_volume        3857.7(7)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7128054
_shelx_shelxl_version_number     2017/1
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_shelx_estimated_absorpt_t_max   0.986
_shelx_res_checksum              92885