Rh(III)-catalyzed redox-neutral C-H alkenylation of benzamides with <i>gem</i>-difluorohomoallylic silyl ethers <i>via</i> β-H elimination.
Cui, Xueli; Qu, Jing; Yi, Jianfeng; Sun, Weiqiang; Hu, Jinhui; Guo, Suqin; Jin, Jing-Wei; Chen, Wen-Hua; Wong, Wing-Leung; Wu, Jia-Qiang; Chemical communications (Cambridge, England) 59 (2023) 3747–3750; doi:10.1039/d3cc00529a

data_7131369
_publ_section_title
;
 Rh(III)-catalyzed redox-neutral C-H alkenylation of benzamides with
 <i>gem</i>-difluorohomoallylic silyl ethers <i>via</i> &#x3b2;-H
 elimination.
;
_journal_issue                   25
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              3747
_journal_page_last               3750
_journal_paper_doi               10.1039/d3cc00529a
_journal_volume                  59
_journal_year                    2023
_chemical_formula_sum            'C19 H18 F2 N O4 S'
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_space_group_name_Hall           '-P 2ybc'
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_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2023-01-23 deposited with the CCDC.	2023-03-06 downloaded from the CCDC.
;
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_cell_angle_gamma                90
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_cell_volume                     1839.55(6)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      296(2)
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_diffrn_measured_fraction_theta_max 0.951
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           CuK\a
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_diffrn_reflns_av_unetI/netI     0.0270
_diffrn_reflns_Laue_measured_fraction_full 1.000
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_diffrn_reflns_point_group_measured_fraction_full 1.000
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_diffrn_reflns_theta_max         77.080
_diffrn_reflns_theta_min         4.113
_exptl_absorpt_coefficient_mu    1.973
_exptl_crystal_colour            yellow
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_exptl_crystal_description       diamond
_exptl_crystal_F_000             820
_refine_diff_density_max         0.601
_refine_diff_density_min         -0.405
_refine_diff_density_rms         0.052
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.112
_refine_ls_R_factor_all          0.0663
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_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0480P)^2^+2.3429P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1563
_refine_ls_wR_factor_ref         0.1580
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3410
_reflns_number_total             3690
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d3cc00529a2.cif
_cod_data_source_block           exp_2100_auto
_cod_depositor_comments          'Adding full bibliography for 7131369.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7131369
_shelx_shelxl_version_number     2018/3
_shelx_res_checksum              54083
_shelx_hkl_checksum              64309