Selective electrocatalytic hydroboration of aryl alkenes
Zhang, Yahui; Zhao, Xiangyu; Bi, Ce; Lu, Wenqi; Song, Mengyuan; Wang, Dongdong; Qing, Guangyan; Green Chemistry 23 (2021) 1691–1699; doi:10.1039/D0GC03890C

data_7242202
_publ_section_title
;
 Selective electrocatalytic hydroboration of aryl alkenes
;
_journal_issue                   4
_journal_name_full               'Green Chemistry'
_journal_page_first              1691
_journal_page_last               1699
_journal_paper_doi               10.1039/D0GC03890C
_journal_volume                  23
_journal_year                    2021
_chemical_formula_sum            'C25 H36 B2 O4'
_chemical_formula_weight         422.16
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_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2020-08-07 deposited with the CCDC.	2021-01-29 downloaded from the CCDC.
;
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_cell_measurement_theta_max      22.27
_cell_measurement_theta_min      2.65
_cell_volume                     2573.3(4)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
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_diffrn_reflns_av_R_equivalents  0.0551
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_diffrn_reflns_Laue_measured_fraction_full 0.998
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_diffrn_reflns_limit_h_max       7
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_diffrn_reflns_limit_k_min       -28
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_diffrn_reflns_point_group_measured_fraction_full 0.998
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_diffrn_reflns_theta_full        23.698
_diffrn_reflns_theta_max         23.698
_diffrn_reflns_theta_min         2.649
_exptl_absorpt_coefficient_mu    0.070
_exptl_absorpt_correction_type   empirical
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_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.090
_exptl_crystal_description       block
_exptl_crystal_F_000             912
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_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.250
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_exptl_transmission_factor_min   2.567
_refine_diff_density_max         0.974
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_refine_ls_extinction_method     none
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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^)+(0.1663P)^2^+8.0764P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3733
_refine_ls_wR_factor_ref         0.3965
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2526
_reflns_number_total             3893
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0gc03890c3.cif
_cod_data_source_block           zyh01_0m_a
_cod_depositor_comments          'Adding full bibliography for 7242202.cif.'
_cod_original_cell_volume        2573.4(4)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7242202
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.982
_shelx_estimated_absorpt_t_max   0.983
_shelx_res_checksum              28246