Imidazopyridine–fluoride interaction: solvent-switched AIE effects via S⋯O conformational locking
Kumari, Annu; Dehaen, Wim; Chopra, Deepak; Dey, Swapan; New Journal of Chemistry 46 (2022) 10628–10636; doi:10.1039/D2NJ00561A

data_7061514
_publ_section_title
;
 Imidazopyridine--fluoride interaction: solvent-switched AIE effects via
 S&#x22EF;O conformational locking
;
_journal_issue                   22
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              10628
_journal_page_last               10636
_journal_paper_doi               10.1039/D2NJ00561A
_journal_volume                  46
_journal_year                    2022
_chemical_formula_sum            'C31 H48 Cl N5 O3 S'
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_atom_sites_solution_primary     direct
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_audit_update_record
;
2021-10-21 deposited with the CCDC.	2022-04-22 downloaded from the CCDC.
;
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_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      292(2)
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_diffrn_measurement_device_type  'Bruker Smart Apex'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_theta_max         28.901
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_exptl_absorpt_coefficient_mu    0.213
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0675P)^2^+0.6784P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.1523
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_reflns_number_gt                5085
_reflns_number_total             7806
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d2nj00561a2.cif
_cod_data_source_block           C1S
_cod_depositor_comments
'Adding full bibliography for 7061511--7061514.cif.'
_cod_original_cell_volume        3359.6(2)
_cod_original_sg_symbol_H-M      'P 2/c'
_cod_database_code               7061514
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_shelx_estimated_absorpt_t_max   0.993
_shelx_res_checksum              62836