A New Synthetic Route for Silacyclopropanes: Reactions of a Bromosilylenoid with Olefins
Cho, Hyeon Mo; Bok, Kyongjin; Park, Seo Hyeon; Lim, Young Mook; Lee, Myong Euy; Choi, Moon-Gun; Lee, Kang Mun; Organometallics 31 (2012) 5227–; doi:10.1021/om3005349

data_4078924
_publ_section_title
;
 A New Synthetic Route for Silacyclopropanes: Reactions of a
 Bromosilylenoid with Olefins
;
_journal_issue                   15
_journal_name_full               Organometallics
_journal_page_first              5227
_journal_paper_doi               10.1021/om3005349
_journal_volume                  31
_journal_year                    2012
_chemical_formula_moiety         'C20 H41 Br Si5'
_chemical_formula_sum            'C20 H41 Br Si5'
_chemical_formula_weight         501.89
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.8370(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.9496(2)
_cell_length_b                   16.0002(3)
_cell_length_c                   18.8016(4)
_cell_measurement_temperature    173(2)
_cell_volume                     2692.02(10)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0571
_diffrn_reflns_av_sigmaI/netI    0.0352
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            32917
_diffrn_reflns_theta_full        53.99
_diffrn_reflns_theta_max         53.99
_diffrn_reflns_theta_min         3.63
_exptl_absorpt_coefficient_mu    4.231
_exptl_absorpt_correction_T_max  0.8836
_exptl_absorpt_correction_T_min  0.7283
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.238
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1064
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.359
_refine_diff_density_min         -0.356
_refine_diff_density_rms         0.070
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     246
_refine_ls_number_reflns         3223
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.066
_refine_ls_R_factor_all          0.0629
_refine_ls_R_factor_gt           0.0379
_refine_ls_shift/su_max          0.015
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0335P)^2^+4.5310P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0796
_refine_ls_wR_factor_ref         0.0895
_reflns_number_gt                2500
_reflns_number_total             3223
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om3005349_si_002.cif
_cod_data_source_block           5
_cod_original_cell_volume        2692.01(10)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               4078924