Differential detection of strong acids in weak acids: a combination of a benzimidazole-carbazole backbone with AIE luminophores as highly sensitive and selective turn-on fluorescent probes
Lin, Pei-Chi; Lin, Yu-Ting; Liu, Kuan-Ting; Chen, Meng-Sin; Zhang, Yong-Yun; Li, Jie-Cheng; Leung, Man-kit; New Journal of Chemistry 46 (2022) 10317–10327; doi:10.1039/D2NJ01226J

data_7061472
_publ_section_title
;
 Differential detection of strong acids in weak acids: a combination of a
 benzimidazole-carbazole backbone with AIE luminophores as highly
 sensitive and selective turn-on fluorescent probes
;
_journal_issue                   21
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              10317
_journal_page_last               10327
_journal_paper_doi               10.1039/D2NJ01226J
_journal_volume                  46
_journal_year                    2022
_chemical_formula_sum            'C45 H32 Cl N3'
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_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2022-02-22 deposited with the CCDC.	2022-04-26 downloaded from the CCDC.
;
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_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      100(2)
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_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0751
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_diffrn_source                   'fine-focus sealed X-ray tube'
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
; 
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018) 
Empirical absorption correction using spherical harmonics, 
 implemented in SCALE3 ABSPACK scaling algorithm. 
;
_exptl_crystal_density_diffrn    1.178
_exptl_crystal_description       plate
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_refine_ls_extinction_method     none
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_refine_ls_R_factor_all          0.1042
_refine_ls_R_factor_gt           0.0685
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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^)+(0.0871P)^2^+0.4390P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1694
_refine_ls_wR_factor_ref         0.2063
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5417
_reflns_number_total             8411
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d2nj01226j4.cif
_cod_data_source_block           ic21243_sq
_cod_depositor_comments
'Adding full bibliography for 7061470--7061472.cif.'
_cod_database_code               7061472
_shelx_shelxl_version_number     2018/3
_shelx_res_checksum              93138
_shelx_fab_checksum              94414