Synthesis of indole-linked β-cyano-enones: a pathway to indolyl-2-pyrrolones.
Mondal, Nurabul; Kumari, Vidya; Ali, Danish; Choudhury, Lokman H.; Organic & biomolecular chemistry 23 (2025) 3913–3924; doi:10.1039/d5ob00328h

data_7160454
_publ_section_title
;
 Synthesis of indole-linked &#x3b2;-cyano-enones: a pathway to
 indolyl-2-pyrrolones.
;
_journal_issue                   16
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              3913
_journal_page_last               3924
_journal_paper_doi               10.1039/d5ob00328h
_journal_volume                  23
_journal_year                    2025
_chemical_formula_moiety         'C20 H13 N3 O [+ solvent]'
_chemical_formula_sum            'C20 H13 N3 O'
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_space_group_name_Hall           '-P 2yn'
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_atom_sites_solution_hydrogens   mixed
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_audit_update_record
;
2024-08-06 deposited with the CCDC.	2025-03-19 downloaded from the CCDC.
;
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_diffrn_ambient_temperature      296(2)
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'Bruker D8 VENTURE diffractometer with PHOTON II detector'
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_diffrn_radiation_monochromator  graphite
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_exptl_crystal_colour            orange
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_refine_ls_R_factor_all          0.0763
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_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0931P)^2^+0.6535P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1670
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_reflns_Friedel_coverage         0.000
_reflns_number_gt                2633
_reflns_number_total             3285
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5ob00328h2.cif
_cod_data_source_block           NM32
_cod_depositor_comments
'Adding full bibliography for 7160452--7160454.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7160454
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.987
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_shelx_res_checksum              58466
_shelx_fab_checksum              71319