Synthesis of 3,4,5-trisubstituted phenols <i>via</i> Rh(III)-catalyzed alkenyl C-H activation assisted by phosphonium cations.
Mao, Yan; Chen, Wenxi; Li, Changchang; Miao, Lin; Lin, Yanfei; Ling, Fei; Chen, Zhangpei; Yao, Jinzhong; Chemical communications (Cambridge, England) 59 (2023) 3775–3778; doi:10.1039/d3cc00017f

data_7131370
_publ_section_title
;
 Synthesis of 3,4,5-trisubstituted phenols <i>via</i> Rh(III)-catalyzed
 alkenyl C-H activation assisted by phosphonium cations.
;
_journal_issue                   25
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              3775
_journal_page_last               3778
_journal_paper_doi               10.1039/d3cc00017f
_journal_volume                  59
_journal_year                    2023
_chemical_formula_sum            'C24 H16 Br2 O'
_chemical_formula_weight         480.17
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_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-2018/3
_audit_update_record
;
2021-11-01 deposited with the CCDC.	2023-03-06 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 112.870(3)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   19.9684(5)
_cell_length_b                   9.8282(2)
_cell_length_c                   22.2383(5)
_cell_measurement_temperature    293(2)
_cell_volume                     4021.26(18)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.977
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0260
_diffrn_reflns_av_unetI/netI     0.0329
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.977
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            15725
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.977
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         72.281
_diffrn_reflns_theta_min         4.315
_exptl_absorpt_coefficient_mu    5.187
_exptl_crystal_density_diffrn    1.586
_exptl_crystal_F_000             1904
_refine_diff_density_max         0.971
_refine_diff_density_min         -1.153
_refine_diff_density_rms         0.070
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     489
_refine_ls_number_reflns         7763
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0632
_refine_ls_R_factor_gt           0.0482
_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^)+(0.0615P)^2^+3.4695P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1262
_refine_ls_wR_factor_ref         0.1381
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5986
_reflns_number_total             7763
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d3cc00017f2.cif
_cod_data_source_block           yj
_cod_depositor_comments          'Adding full bibliography for 7131370.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7131370
_shelx_shelxl_version_number     2018/3
_shelx_res_checksum              11017
_shelx_hkl_checksum              57422