Thiosemicarbazones as versatile photoswitches with light-controllable supramolecular activity.
Sentürk, Bengi; Butschke, Burkhard; Eisenreich, Fabian; Chemical science 16 (2025) 3130–3140; doi:10.1039/d4sc08530b

data_1573710
_publ_section_title
;
 Thiosemicarbazones as versatile photoswitches with light-controllable
 supramolecular activity.
;
_journal_issue                   7
_journal_name_full               'Chemical science'
_journal_page_first              3130
_journal_page_last               3140
_journal_paper_doi               10.1039/d4sc08530b
_journal_volume                  16
_journal_year                    2025
_chemical_formula_moiety         'C12 H11 N3 S2'
_chemical_formula_sum            'C12 H11 N3 S2'
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;FinalCif V137 by Daniel Kratzert, Freiburg 2024, 
https://dkratzert.de/finalcif.html
;
_audit_update_record
;
2024-05-24 deposited with the CCDC.	2025-01-09 downloaded from the CCDC.
;
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'Bruker BIS 2018.9.0.3/05-Dec-2018 and APEX5_2023.9-2'
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;SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction: 
Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D., J. Appl. Cryst. 48 
(2015) 3-10
;
_exptl_crystal_colour            colourless
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'Crystals were obtained at room temperature from a mixture of dichloromethane and ethanol by slow solvent evaporation.'
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0409P)^2^+0.1792P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                3731
_reflns_number_total             4060
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4sc08530b2.cif
_cod_data_source_block           Eisenreich_TSC_19_a
_cod_depositor_comments
'Adding full bibliography for 1573706--1573712.cif.'
_cod_database_code               1573710
_shelx_shelxl_version_number     2019/3
_shelx_estimated_absorpt_t_min   0.757
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_olex2_diffrn_ambient_temperature_device 'Oxford Cryostream 800'
_shelx_res_checksum              50869
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