Direct organocatalytic esterification of carboxylic acids and alcohols by redox neutral sulfur(iv) catalysis via intramolecularly interrupted Pummerrer intermediates
Biswas, Ashish; Pradhan, Priyanka; Wakpanjar, Sumit Ashok; Kancharla, Pavan K.; Chemical Communications 61 (2025) 5746–5749; doi:10.1039/D5CC00556F

data_7134334
_publ_section_title
;
 Direct organocatalytic esterification of carboxylic acids and alcohols by
 redox neutral sulfur(iv) catalysis via intramolecularly interrupted
 Pummerrer intermediates
;
_journal_issue                   31
_journal_name_full               'Chemical Communications'
_journal_page_first              5746
_journal_page_last               5749
_journal_paper_doi               10.1039/D5CC00556F
_journal_volume                  61
_journal_year                    2025
_chemical_formula_sum            'C16 H18 O3 S'
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_audit_update_record
;
2024-12-22 deposited with the CCDC.	2025-03-17 downloaded from the CCDC.
;
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_cell_volume                     1495.9(2)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
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_diffrn_ambient_temperature      299(2)
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_diffrn_measurement_device_type  'Bruker APEX-II CCD'
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_diffrn_reflns_theta_max         24.999
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_exptl_absorpt_coefficient_mu    0.221
_exptl_crystal_colour            colourless
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_refine_diff_density_max         0.228
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         2624
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_refine_ls_restrained_S_all      0.844
_refine_ls_R_factor_all          0.0420
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_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^+0.7832P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_Friedel_coverage         0.000
_reflns_number_gt                2347
_reflns_number_total             2624
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5cc00556f2.cif
_cod_data_source_block           PKK_AB_1_0ma_a
_cod_depositor_comments          'Adding full bibliography for 7134334.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7134334
_shelx_shelxl_version_number     2018/3
_shelx_res_checksum              94350
_shelx_hkl_checksum              3695