Reactions of an Isolable Dialkylsilylene with Ketones†
Ishida, Shintaro; Iwamoto, Takeaki; Kira, Mitsuo; Organometallics 29 (2010) 5526–; doi:10.1021/om1004644

data_4066448
_publ_section_title
;
 Reactions of an Isolable Dialkylsilylene with Ketones&#x2020;
;
_journal_issue                   21
_journal_name_full               Organometallics
_journal_page_first              5526
_journal_paper_doi               10.1021/om1004644
_journal_volume                  29
_journal_year                    2010
_chemical_formula_sum            'C27 H58 O Si5'
_chemical_formula_weight         539.18
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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_creation_method           SHELXL-97
_cell_angle_alpha                82.639(2)
_cell_angle_beta                 85.349(3)
_cell_angle_gamma                84.839(3)
_cell_formula_units_Z            6
_cell_length_a                   10.409(2)
_cell_length_b                   18.120(4)
_cell_length_c                   28.274(6)
_cell_measurement_reflns_used    7860
_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      27.82
_cell_measurement_theta_min      2.19
_cell_volume                     5254.3(19)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      90(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0327
_diffrn_reflns_av_sigmaI/netI    0.0406
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            50116
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.42
_exptl_absorpt_coefficient_mu    0.220
_exptl_absorpt_correction_T_max  0.9470
_exptl_absorpt_correction_T_min  0.9269
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.022
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1788
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.830
_refine_diff_density_min         -0.366
_refine_diff_density_rms         0.063
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.179
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1199
_refine_ls_number_reflns         18407
_refine_ls_number_restraints     49
_refine_ls_restrained_S_all      1.179
_refine_ls_R_factor_all          0.0762
_refine_ls_R_factor_gt           0.0625
_refine_ls_shift/su_max          0.027
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0410P)^2^+8.3197P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1416
_refine_ls_wR_factor_ref         0.1479
_reflns_number_gt                15286
_reflns_number_total             18407
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om1004644_si_002.cif
_cod_data_source_block           sik22_(compound_17)
_cod_depositor_comments
;
The following automatic conversions were performed:
'_atom_site_symetry_multiplicity' tag replaced with
'_atom_site_symmetry_multiplicity'.

Automatic conversion script
Id: cif_correct_tags 1440 2010-10-19 06:21:57Z saulius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4066448