Intramolecular activation of strong Si-O bonds by gold(I): regioselective synthesis of 3-bromo-2-silylbenzofurans.
Fernández-Canelas, Paula; Miguélez, Rubén; Rubio, Eduardo; González, José Manuel; Barrio, Pablo; Chemical communications (Cambridge, England) 58 (2022) 9250–9253; doi:10.1039/d2cc03060h

data_7130667
_publ_section_title
;
 Intramolecular activation of strong Si-O bonds by gold(I): regioselective
 synthesis of 3-bromo-2-silylbenzofurans.
;
_journal_issue                   66
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              9250
_journal_page_last               9253
_journal_paper_doi               10.1039/d2cc03060h
_journal_volume                  58
_journal_year                    2022
_chemical_formula_moiety         'C17 H25 Br O Si'
_chemical_formula_sum            'C17 H25 Br O Si'
_chemical_formula_weight         353.37
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   noref
_audit_creation_method           SHELXL-2014
_audit_update_record
;
2022-05-23 deposited with the CCDC.	2022-07-20 downloaded from the CCDC.
;
_cell_angle_alpha                82.729(6)
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_cell_measurement_temperature    149.9(2)
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_computing_cell_refinement       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
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_computing_publication_material  'SHELXL-2014 (Sheldrick, 2014)'
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_computing_structure_solution    'SIR-2004 (Altomare 2004)'
_diffrn_ambient_temperature      149.9(2)
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_diffrn_measured_fraction_theta_max 0.9697
_diffrn_measurement_device_type  'Xcalibur, Onyx, Nova'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0493
_diffrn_reflns_av_unetI/netI     0.0413
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_diffrn_reflns_limit_k_min       -10
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_diffrn_reflns_theta_full        67.4579
_diffrn_reflns_theta_max         69.5842
_diffrn_reflns_theta_min         5.8027
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'Nova (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    3.829
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.49738
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.352
_exptl_crystal_description       prism
_exptl_crystal_F_000             368
_exptl_crystal_size_max          0.33
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_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.711
_refine_diff_density_min         -1.322
_refine_diff_density_rms         0.111
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.137
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     187
_refine_ls_number_reflns         3166
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.137
_refine_ls_R_factor_all          0.0595
_refine_ls_R_factor_gt           0.0543
_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^)+(0.1070P)^2^+0.6173P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1557
_refine_ls_wR_factor_ref         0.1700
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2859
_reflns_number_total             3166
_reflns_threshold_expression     'I > 2\s(I)'
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_shelxl_version_number           2014-3
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