Reversible fluorescence redox switching in activated carbonyl-functionalized fluorophores through the conversion of α-keto esters and α-hydroxy esters
Sivadas, Deepanjaly K.; Ravi, Sasikala; Padmanaban, Ramanathan; Moon, Dohyun; Anthony, Savarimuthu Philip; Madhu, Vedichi; New Journal of Chemistry 49 (2025) 16075–16085; doi:10.1039/D5NJ01251A

data_7064047
_publ_section_title
;
 Reversible fluorescence redox switching in activated
 carbonyl-functionalized fluorophores through the conversion of \a-keto
 esters and \a-hydroxy esters
;
_journal_issue                   37
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              16075
_journal_page_last               16085
_journal_paper_doi               10.1039/D5NJ01251A
_journal_volume                  49
_journal_year                    2025
_chemical_formula_moiety         'C24 H16 O3'
_chemical_formula_sum            'C24 H16 O3'
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_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2ybc'
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_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2019/3
_audit_update_record
;
2024-12-19 deposited with the CCDC.	2025-08-13 downloaded from the CCDC.
;
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_computing_data_collection
'<i>PAL BL2D-SMDC Program</i>(Shin et.al, 2016)'
_computing_data_reduction        '<i>HKL3000sm</i>(Otwinowski & Minor, 1997)'
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_computing_publication_material  '<i>publCIF</i>(Westrip, 2010)'
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_computing_structure_solution    '<i>SHELXT-2018</i>(Sheldrick, 2018)'
_diffrn_ambient_temperature      220(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Rayonix MX225HS CCD area detector'
_diffrn_measurement_method       'omega scan'
_diffrn_radiation_type           synchrotron
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'<i>HKL3000sm Scalepack</i>(Otwinowski et.al,2003)'
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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^)+(0.1178P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                2405
_reflns_number_total             3789
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5nj01251a2.cif
_cod_data_source_block           SPA899
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7064047
_shelx_shelxl_version_number     2019/3
_shelx_estimated_absorpt_t_min   0.996
_shelx_estimated_absorpt_t_max   0.999
_shelx_res_checksum              93716