Expedient access to polysubstituted acrylamides <i>via</i> strain-release-driven dual phosphine and palladium catalysis.
Yao, Yu-Xiang; Zhang, Jing; Min, Xuehong; Qin, Lan; Wei, Yi; Gao, Yang; Hu, Xiao-Qiang; Chemical communications (Cambridge, England) 60 (2024) 6532–6535; doi:10.1039/d4cc01968g

data_7133108
_publ_section_title
;
 Expedient access to polysubstituted acrylamides <i>via</i>
 strain-release-driven dual phosphine and palladium catalysis.
;
_journal_issue                   51
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              6532
_journal_page_last               6535
_journal_paper_doi               10.1039/d4cc01968g
_journal_volume                  60
_journal_year                    2024
_chemical_formula_sum            'C35 H27 Cl2 N O2'
_chemical_formula_weight         564.47
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_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2024-01-25 deposited with the CCDC.	2024-05-29 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 112.620(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
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_cell_volume                     3002.5(4)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      273(2)
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_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  ccd
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.1654
_diffrn_reflns_av_unetI/netI     0.0874
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.991
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_diffrn_reflns_limit_k_max       32
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_diffrn_reflns_point_group_measured_fraction_full 0.991
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_exptl_absorpt_correction_type   multi-scan
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_exptl_crystal_colour            colorless
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_exptl_crystal_description       block
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_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.080
_exptl_transmission_factor_max   0.864
_exptl_transmission_factor_min   0.864
_refine_diff_density_max         0.407
_refine_diff_density_min         -0.461
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_refine_ls_extinction_coef       0.0209(10)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
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_refine_ls_number_restraints     2
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_refine_ls_R_factor_all          0.1771
_refine_ls_R_factor_gt           0.1096
_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^)+(0.0100P)^2^+3.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2108
_refine_ls_wR_factor_ref         0.2381
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2642
_reflns_number_total             5307
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4cc01968g2.cif
_cod_data_source_block           1_CCDC1
_cod_depositor_comments
'Adding full bibliography for 7133107--7133109.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7133108
_shelx_shelxl_version_number     2014/7
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_shelx_estimated_absorpt_t_max   0.844
_shelx_res_checksum              8263
_shelx_hkl_checksum              1308