Structure of an α-(methyldiphenylsilyl)-γ-lactone
Delord, T. J.; Fronczek, F. R.; Betancourt de Perez, R. M.; Larson, G. L.; Acta Crystallographica Section C 49 (1993) 1799–1801; doi:10.1107/S010827019300263X

data_2001350
_publ_section_title
;
 Structure of an \a-(methyldiphenylsilyl)-\g-lactone
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1799
_journal_page_last               1801
_journal_paper_doi               10.1107/S010827019300263X
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C22 H26 O2 Si'
_chemical_formula_weight         350.5
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 93.56(2)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   13.436(2)
_cell_length_b                   7.001(2)
_cell_length_c                   20.698(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    299
_cell_measurement_theta_max      14
_cell_measurement_theta_min      11
_cell_volume                     1943.2(7)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.021
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            4307
_diffrn_reflns_theta_max         26
_diffrn_standards_decay_%        <2
_diffrn_standards_interval_time  166.7
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.13
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.198
_exptl_crystal_description       'Rhombic prism'
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.18
_refine_diff_density_min         -0.18
_refine_ls_goodness_of_fit_obs   1.262
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     330
_refine_ls_number_reflns         2725
_refine_ls_R_factor_obs          0.084
_refine_ls_shift/esd_max         0.01
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 4F~o~^2^[\s^2^(I) + (0.02F~o~^2^)^2^]^-1^'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.039
_reflns_number_observed          2725
_reflns_number_total             3815
_reflns_observed_criterion       I>0
_cod_data_source_file            br1034.cif
_cod_data_source_block           br1034_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value ' w = 4F~o~^2^[\s^2^(I) +
(0.02F~o~^2^)^2^]^-1^' was changed to 'calc'. New tag
'_refine_ls_weighting_details' was created. The value of the new tag
was set to 'w = 4F~o~^2^[\s^2^(I) + (0.02F~o~^2^)^2^]^-1^'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1943.1(7)
_cod_original_formula_sum        'C22 H26 O2 Si1'
_cod_database_code               2001350