<i>ortho</i>-[1-(<i>p</i>-MeOPhenyl)vinyl]benzoate PMPVB as a recyclable auxiliary for C-O and C-S bond formation reactions under Brønsted acid catalysis.
Moktan, Sangay; Rotta, Mahendra K. V.; Halder, Suvendu; Pradhan, Priyanka; Kancharla, Pavan K.; Organic & biomolecular chemistry 21 (2023) 5929–5934; doi:10.1039/d3ob00839h

data_7159460
_publ_section_title
;
 <i>ortho</i>-[1-(<i>p</i>-MeOPhenyl)vinyl]benzoate PMPVB as a recyclable
 auxiliary for C-O and C-S bond formation reactions under Br&#xf8;nsted
 acid catalysis.
;
_journal_issue                   29
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              5929
_journal_page_last               5934
_journal_paper_doi               10.1039/d3ob00839h
_journal_volume                  21
_journal_year                    2023
_chemical_formula_sum            'C20 H28 O3 S'
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_space_group_name_Hall           '-P 2ybc'
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_atom_sites_solution_hydrogens   geom
_audit_block_doi                 10.5517/ccdc.csd.cc2g1rs2
_audit_creation_method           SHELXL-2019/1
_audit_update_record
;
2023-05-27 deposited with the CCDC.	2023-07-03 downloaded from the CCDC.
;
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_cell_angle_gamma                90
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_cell_length_c                   13.734(3)
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_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      22.0800
_cell_measurement_theta_min      2.8310
_cell_volume                     1861.5(6)
_computing_structure_refinement  'SHELXL-2019/1 (Sheldrick, 2019)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.1325
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_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.992
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_diffrn_reflns_point_group_measured_fraction_full 0.992
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_diffrn_reflns_theta_max         24.998
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_exptl_absorpt_coefficient_mu    0.188
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.06960
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   multi-scan
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.243
_exptl_crystal_description       Block
_exptl_crystal_F_000             752
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_exptl_crystal_size_min          0.27
_refine_diff_density_max         0.266
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_refine_ls_extinction_method     none
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_refine_ls_number_parameters     220
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_refine_ls_restrained_S_all      0.942
_refine_ls_R_factor_all          0.2251
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_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^)+(0.0455P)^2^+0.6740P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1566
_refine_ls_wR_factor_ref         0.2251
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1116
_reflns_number_total             3250
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d3ob00839h2.cif
_cod_data_source_block           sm76a
_cod_depositor_comments
'Adding full bibliography for 7159459--7159460.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7159460
_shelx_shelxl_version_number     2019/1
_shelx_res_checksum              39713