Structure of an 11-membered cyclic silyl enol ether from condensation of methacrolein and a pseudoephedrine-derived <i>O</i>-silyl ketene <i>N</i>,<i>O</i>-acetal
Schaefer, W. P.; Subramanian, V.; Myers, A. G.; Acta Crystallographica Section C 48 (1992) 2090–2092; doi:10.1107/S0108270192006851

data_2000499
_publ_section_title
;
 Structure of an 11-membered cyclic silyl enol ether from condensation
 of methacrolein and a pseudoephedrine-derived <i>O</i>-silyl ketene
 <i>N</i>,<i>O</i>-acetal
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2090
_journal_page_last               2092
_journal_paper_doi               10.1107/S0108270192006851
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C19 H29 N O3 Si'
_chemical_formula_weight         347.53
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_cell_angle_alpha                90.
_cell_angle_beta                 94.73
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   6.562(4)
_cell_length_b                   20.473(11)
_cell_length_c                   15.202(6)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      16
_cell_measurement_theta_min      14
_cell_volume                     2035.3(18)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.026
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            7473
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        'slight linear decay'
_diffrn_standards_interval_time  150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.125
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.13
_exptl_crystal_size_max          0.65
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.19
_refine_diff_density_min         -0.19
_refine_ls_goodness_of_fit_obs   1.72
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     432
_refine_ls_number_reflns         3685
_refine_ls_shift/esd_max         0.01
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/[\s^2^(F~o~^2^)+(0.014I)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.05
_reflns_number_observed          3685
_reflns_number_total             3685
_cod_data_source_file            hh1008.cif
_cod_data_source_block           hh1008_structure_1_of_1
_cod_depositor_comments
;
 Adding the _atom_site_type_symbol data item.

 Antanas Vaitkus,
 2017-09-11

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/[\s^2^(F~o~^2^)+(0.014I)^2^]'
was changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w =
1/[\s^2^(F~o~^2^)+(0.014I)^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_formula_sum        'C19 H29 N1 O3 Si1'
_cod_database_code               2000499