Robust bi-directional photoswitching of thiomethyl substituted arylazopyrazoles under visible light.
Bhunia, Supriya; Dolai, Anirban; Samanta, Subhas; Chemical communications (Cambridge, England) 56 (2020) 10247–10250; doi:10.1039/d0cc04098c

data_7127000
_publ_section_title
;
 Robust bi-directional photoswitching of thiomethyl substituted
 arylazopyrazoles under visible light.
;
_journal_issue                   70
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              10247
_journal_page_last               10250
_journal_paper_doi               10.1039/d0cc04098c
_journal_volume                  56
_journal_year                    2020
_chemical_formula_moiety         'C14 H18 N4 S2'
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_chemical_properties_physical    Light-sensitive
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_space_group_name_Hall           'P 2ac 2ab'
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_atom_sites_solution_hydrogens   geom
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_audit_update_record
;
2020-07-09 deposited with the CCDC.	2020-07-17 downloaded from the CCDC.
;
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_cell_angle_gamma                90
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_cell_measurement_theta_min      3.030
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'Re-crystallisation from solvent: Methanol-Diethyl ether'
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;
 Flack x determined using 1668 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.018(13)
_refine_ls_extinction_method     none
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_refine_ls_R_factor_all          0.0371
_refine_ls_R_factor_gt           0.0339
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1090
_refine_ls_wR_factor_ref         0.1148
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_reflns_number_gt                4065
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 7127000--7127001.cif.'
_cod_database_code               7127000
_shelx_shelxl_version_number     2018/3
_shelx_res_checksum              55598