Ni(ii)-Catalyzed vinylic C-H functionalization of 2-acetamido-3-arylacrylates to access isotetronic acids.
Roy, Biswajit; Das, Eshani; Roy, Avijit; Mal, Dipakranjan; Organic & biomolecular chemistry 18 (2020) 3697–3706; doi:10.1039/d0ob00557f

data_7157482
_publ_section_title
;
 Ni(ii)-Catalyzed vinylic C-H functionalization of
 2-acetamido-3-arylacrylates to access isotetronic acids.
;
_journal_issue                   19
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              3697
_journal_page_last               3706
_journal_paper_doi               10.1039/d0ob00557f
_journal_volume                  18
_journal_year                    2020
_chemical_formula_sum            'C10 H7 N O5'
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_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-10-08 deposited with the CCDC.	2020-04-20 downloaded from the CCDC.
;
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_cell_angle_beta                 105.62(3)
_cell_angle_gamma                90.00(3)
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_cell_length_b                   10.003(2)
_cell_length_c                   7.418(2)
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_cell_measurement_temperature    293(2)
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_cell_volume                     1835.8(8)
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_diffrn_ambient_temperature      293(2)
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_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker SMART APEX'
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_diffrn_reflns_limit_l_min       -9
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_exptl_absorpt_correction_T_min  0.989
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0722P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1228
_refine_ls_wR_factor_ref         0.1473
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1152
_reflns_number_total             1880
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0ob00557f2.cif
_cod_data_source_block           9q
_cod_depositor_comments
;
Adding full bibliography for 7157480--7157483.cif.

2025-03-31
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_sum            'C80 H56 N8 O40'
_cod_original_formula_weight         1769.32
_cod_original_formula_units_Z            1
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7157482
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              80519