4-Vinylbenzodioxinones as a new type of precursor for palladium-catalyzed (4+3) cycloaddition of azomethine imines.
Tang, Yi; Zhang, Rulei; Dong, Yujie; Yu, Songcheng; Wu, Yongjun; Xiao, Yumei; Guo, Hongchao; Chemical communications (Cambridge, England) 60 (2024) 1436–1439; doi:10.1039/d3cc06012h

data_7132590
_publ_section_title
;
 4-Vinylbenzodioxinones as a new type of precursor for palladium-catalyzed
 (4+3) cycloaddition of azomethine imines.
;
_journal_issue                   11
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              1436
_journal_page_last               1439
_journal_paper_doi               10.1039/d3cc06012h
_journal_volume                  60
_journal_year                    2024
_chemical_formula_sum            'C24 H21 N3 O3 S'
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_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2023-05-22 deposited with the CCDC.	2024-01-05 downloaded from the CCDC.
;
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_cell_volume                     1051.52(11)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
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_diffrn_ambient_temperature      296(2)
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_diffrn_measurement_device_type  'Bruker APEX-II CCD'
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_diffrn_reflns_Laue_measured_fraction_full 0.997
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_diffrn_reflns_theta_max         27.550
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_exptl_absorpt_coefficient_mu    0.186
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_exptl_absorpt_correction_T_min  0.898
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.363
_exptl_crystal_description       block
_exptl_crystal_F_000             452
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_refine_diff_density_max         0.374
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_refine_ls_extinction_method     none
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_refine_ls_R_factor_all          0.0505
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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^)+(0.0800P)^2^+0.2282P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1186
_refine_ls_wR_factor_ref         0.1269
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4055
_reflns_number_total             4845
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d3cc06012h2.cif
_cod_data_source_block           b221212d_0m_a
_cod_depositor_comments
'Adding full bibliography for 7132590--7132592.cif.'
_cod_database_code               7132590
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.900
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_shelx_hkl_checksum              94439