Carbonylative cyclization of biaryl enones with aldehydes and oxamic acids.
Reddy, Chada Raji; Kolgave, Dattahari H.; Fatima, Sana; Ramesh, Remya; Organic & biomolecular chemistry 22 (2024) 4901–4911; doi:10.1039/d4ob00513a

data_7160024
_publ_section_title
;
 Carbonylative cyclization of biaryl enones with aldehydes and oxamic
 acids.
;
_journal_issue                   24
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              4901
_journal_page_last               4911
_journal_paper_doi               10.1039/d4ob00513a
_journal_volume                  22
_journal_year                    2024
_chemical_formula_moiety         'C23 H18 O2'
_chemical_formula_sum            'C23 H18 O2'
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_space_group_name_Hall           '-P 2ybc'
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_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2019/2
_audit_update_record
;
2024-03-29 deposited with the CCDC.	2024-06-04 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_computing_cell_refinement       '<i>SAINT</i> (Bruker, 2016)'
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_computing_molecular_graphics    'Bruker SHELXTL'
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_diffrn_ambient_temperature      294(2)
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_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Bruker D8 QUEST PHOTON-100'
_diffrn_measurement_method       '\w and \f'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.1299
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_diffrn_reflns_limit_l_min       -20
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_diffrn_reflns_point_group_measured_fraction_full 0.986
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_exptl_absorpt_coefficient_mu    0.080
_exptl_absorpt_correction_T_max  0.7457
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_crystal_colour            colourless
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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^)+(0.0418P)^2^+0.4800P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                3744
_reflns_number_total             5915
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           KB231_0m
_cod_original_sg_symbol_H-M      'P 21/c'
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_shelx_estimated_absorpt_t_min   0.982
_shelx_estimated_absorpt_t_max   0.986
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