The 2,4,6-Trimethoxyphenyl Unit as a Unique Protecting Group for Silicon in Synthesis and the Silylation Potential of (2,4,6-Trimethoxyphenyl)silanes
Popp, Friedrich; Nätscher, Jennifer B.; Daiss, Jürgen O.; Burschka, Christian; Tacke, Reinhold; Organometallics 26 (2007) 6014–; doi:10.1021/om700805p

data_4074004
_publ_section_title
;
 The 2,4,6-Trimethoxyphenyl Unit as a Unique Protecting Group for Silicon
 in Synthesis and the Silylation Potential of
 (2,4,6-Trimethoxyphenyl)silanes
;
_journal_issue                   24
_journal_name_full               Organometallics
_journal_page_first              6014
_journal_paper_doi               10.1021/om700805p
_journal_volume                  26
_journal_year                    2007
_chemical_formula_moiety         'C21 H21 Cl O3 Si'
_chemical_formula_sum            'C21 H21 Cl O3 Si'
_chemical_formula_weight         384.92
_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                105.505(2)
_cell_angle_beta                 99.2660(10)
_cell_angle_gamma                104.7730(10)
_cell_formula_units_Z            2
_cell_length_a                   9.2310(3)
_cell_length_b                   9.7276(3)
_cell_length_c                   11.8768(4)
_cell_measurement_reflns_used    7187
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.48
_cell_measurement_theta_min      2.35
_cell_volume                     963.17(6)
_computing_cell_refinement       Bruker-SAINT
_computing_data_collection       Bruker-SAINT
_computing_data_reduction        Bruker-SAINT
_computing_molecular_graphics    Ortep/Povray
_computing_publication_material  Bruker-SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  Bruker_Nonius_Kappa_Apex2
_diffrn_measurement_method       'omega and phi scans'
_diffrn_radiation_monochromator  goebel_mirrors
_diffrn_radiation_source         rotating_anode
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_av_sigmaI/netI    0.0247
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            21836
_diffrn_reflns_theta_full        28.53
_diffrn_reflns_theta_max         28.53
_diffrn_reflns_theta_min         1.84
_exptl_absorpt_coefficient_mu    0.278
_exptl_absorpt_correction_T_max  1.
_exptl_absorpt_correction_T_min  .837506
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   Bruker-SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.327
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       fragment
_exptl_crystal_F_000             404
_exptl_crystal_size_max          .35
_exptl_crystal_size_mid          .3
_exptl_crystal_size_min          .25
_refine_diff_density_max         0.808
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_refine_ls_extinction_method     none
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_refine_ls_matrix_type           full
_refine_ls_number_parameters     238
_refine_ls_number_reflns         4862
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_refine_ls_restrained_S_all      1.041
_refine_ls_R_factor_all          0.0422
_refine_ls_R_factor_gt           0.0386
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0452P)^2^+0.7559P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1023
_refine_ls_wR_factor_ref         0.1049
_reflns_number_gt                4439
_reflns_number_total             4862
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om700805p-file008.cif
_cod_data_source_block           nae05b
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'multiscan' changed to
'multi-scan' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        963.17(5)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4074004