Synthesis of spirooxindoles <i>via</i> formal acetylene insertion into a common palladacycle intermediate.
Abel-Snape, Xavier; Johnson, Colton E.; Imbriaco, Bianca; Lautens, Mark; Chemical science 14 (2023) 5650–5655; doi:10.1039/d3sc01072d

data_1568828
_publ_section_title
;
 Synthesis of spirooxindoles <i>via</i> formal acetylene insertion into a
 common palladacycle intermediate.
;
_journal_issue                   21
_journal_name_full               'Chemical science'
_journal_page_first              5650
_journal_page_last               5655
_journal_paper_doi               10.1039/d3sc01072d
_journal_volume                  14
_journal_year                    2023
_chemical_formula_moiety         'C18 H15 N O'
_chemical_formula_sum            'C18 H15 N O'
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_space_group_name_Hall           '-P 2yn'
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_atom_sites_solution_hydrogens   geom
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_audit_creation_method           SHELXL-2019/1
_audit_update_record
;
2023-02-26 deposited with the CCDC.	2023-04-10 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_diffrn_ambient_temperature      150(2)
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_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'Bruker Kappa APEX-DUO CMOS PHOTON II'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           CuK\a
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_diffrn_source                   'Incoated ImuS with multi-layer optics'
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_exptl_absorpt_correction_T_min  0.6950
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Krause et al., 2015)'
_exptl_crystal_colour            colourless
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_exptl_crystal_description       Shard
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_refine_ls_matrix_type           full
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_refine_ls_restrained_S_all      1.041
_refine_ls_R_factor_all          0.0384
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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^)+(0.0416P)^2^+0.4481P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0881
_refine_ls_wR_factor_ref         0.0900
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2039
_reflns_number_total             2284
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d3sc01072d2.cif
_cod_data_source_block           d2224_a
_cod_depositor_comments
'Adding full bibliography for 1568828--1568829.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1568828
_shelx_shelxl_version_number     2019/1
_shelx_estimated_absorpt_t_min   0.878
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_shelx_res_checksum              55842