Amino acid derived chiral thioureas: design, synthesis and applications as NMR resolving agents for enantioselective recognition.
Dwivedi, Astha M.; Butcher, Raymond J.; Bedekar, Ashutosh V.; Organic & biomolecular chemistry 24 (2026) 2447–2468; doi:10.1039/d5ob02013a

data_7160963
_publ_section_title
;
 Amino acid derived chiral thioureas: design, synthesis and applications
 as NMR resolving agents for enantioselective recognition.
;
_journal_issue                   12
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              2447
_journal_page_last               2468
_journal_paper_doi               10.1039/d5ob02013a
_journal_volume                  24
_journal_year                    2026
_chemical_formula_moiety         'C21 H24 N2 O4 S'
_chemical_formula_sum            'C21 H24 N2 O4 S'
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_audit_update_record
;
2024-04-30 deposited with the CCDC.	2026-02-02 downloaded from the CCDC.
;
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_diffrn_radiation_type           CuK\a
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_diffrn_source                   'micro-focus sealed X-ray tube'
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;
CrysAlisPro 1.171.43.91a (Rigaku Oxford Diffraction, 2023)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colorless
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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^)+(0.0580P)^2^+0.2727P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0960
_refine_ls_wR_factor_ref         0.0992
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3686
_reflns_number_total             4058
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments          'Adding full bibliography for 7160963.cif.'
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_shelx_shelxl_version_number     2019/3
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