Copper-catalyzed silylation of p-quinone methides: new entry to dibenzylic silanes
Aurora Lopez; Alejandro Parra; Carlos Jarava-Barrera; Mariola Tortosa; Chem.Commun. 51 (2015) 17684–; doi:10.1039/C5cc06653K

data_7118149
_publ_section_title
;
 Copper-catalyzed silylation of p-quinone methides: new entry to
 dibenzylic silanes
;
_journal_name_full               Chem.Commun.
_journal_page_first              17684
_journal_paper_doi               10.1039/C5cc06653K
_journal_volume                  51
_journal_year                    2015
_chemical_formula_sum            'C29 H36 Br O Si'
_chemical_formula_weight         508.58
_chemical_name_common            ALG-4-9
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_update_record
;
2015-07-23 deposited with the CCDC.
2015-10-12 downloaded from the CCDC.
;
_cell_angle_alpha                98.4470(10)
_cell_angle_beta                 95.2440(10)
_cell_angle_gamma                94.6910(10)
_cell_formula_units_Z            4
_cell_length_a                   9.5769(3)
_cell_length_b                   15.5585(5)
_cell_length_c                   18.7701(6)
_cell_measurement_reflns_used    9838
_cell_measurement_temperature    296.(2)
_cell_measurement_theta_max      21.0281
_cell_measurement_theta_min      2.3073
_cell_volume                     2741.97(15)
_computing_cell_refinement       'SAINT V7.68A (Bruker AXS, 2009)'
_computing_data_collection       'Bruker Instrument Service v2010.9.0.0'
_computing_data_reduction        'SAINT V7.68A (Bruker AXS, 2009)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296.(2)
_diffrn_detector_area_resol_mean 8.3333
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0725
_diffrn_reflns_av_sigmaI/netI    0.0544
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            87080
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         1.33
_exptl_absorpt_coefficient_mu    1.561
_exptl_absorpt_correction_T_max  0.86
_exptl_absorpt_correction_T_min  0.77
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_density_diffrn    1.232
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             1068
_exptl_crystal_size_max          0.240
_exptl_crystal_size_mid          0.210
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.543
_refine_diff_density_min         -0.839
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_matrix_type           full
_refine_ls_number_parameters     593
_refine_ls_number_reflns         10052
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.052
_refine_ls_R_factor_all          0.1032
_refine_ls_R_factor_gt           0.0490
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0757P)^2^+0.8520P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1227
_refine_ls_wR_factor_ref         0.1532
_reflns_number_gt                6124
_reflns_number_total             10052
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5cc06653k2.cif
_cod_data_source_block           I
_cod_database_code               7118149