Twisting of aryl groups affects thermal back reactivity of diarylbenzene photoswitches.
Fukata, Oka; Kitagawa, Daichi; Mutoh, Katsuya; Kobatake, Seiya; Chemical communications (Cambridge, England) 61 (2025) 11057–11060; doi:10.1039/d5cc02172c

data_7134688
_publ_section_title
;
 Twisting of aryl groups affects thermal back reactivity of diarylbenzene
 photoswitches.
;
_journal_issue                   59
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              11057
_journal_page_last               11060
_journal_paper_doi               10.1039/d5cc02172c
_journal_volume                  61
_journal_year                    2025
_chemical_formula_moiety         'C28 H22 F2 N2 S2'
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_audit_update_record
;
2025-05-21 deposited with the CCDC.	2025-06-09 downloaded from the CCDC.
;
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'XtaLAB Synergy, Single source at home/near, HyPix'
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;
CrysAlisPro 1.171.43.98a (Rigaku Oxford Diffraction, 2023)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
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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^)+(0.0367P)^2^+0.9059P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_total             4792
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 7134688--7134693.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7134688
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.386
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