Facile synthesis of hydrophobic fluoroalkyl functionalized silsesquioxane nanostructures.
Iacono, Scott T; Vij, Ashwani; Grabow, Wade; Smith, Jr, Dennis W; Mabry, Joseph M; Chemical communications (Cambridge, England)  (2007) 4992–4994; doi:10.1039/b712976a

data_7102346
_publ_section_title
;
 Facile synthesis of hydrophobic fluoroalkyl functionalized
 silsesquioxane nanostructures.
;
_journal_issue                   47
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              4992
_journal_page_last               4994
_journal_paper_doi               10.1039/b712976a
_journal_year                    2007
_chemical_compound_source
'Chemical synthesis via corner capping technique'
_chemical_formula_moiety         Si8O12(CH3)(CH2CH2CF3)7
_chemical_formula_sum            'C22 H31 F21 O12 Si8'
_chemical_formula_weight         1111.19
_chemical_melting_point          443
_chemical_name_common
Methylhepta(3,3,3-trifluropropyl)-T8-Silsesquioxane
_chemical_name_systematic
Methylhepta(3,3,3-trifluropropyl)-T8-Silsesquioxane
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 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                 105.007(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.3164(16)
_cell_length_b                   17.129(2)
_cell_length_c                   20.726(3)
_cell_measurement_reflns_used    7818
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      25.35
_cell_measurement_theta_min      1.98
_cell_volume                     4566.2(10)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SMART'
_computing_molecular_graphics    'X-Seed and Mercury'
_computing_publication_material  'Encifer v1.2'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_pressure         100
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0168
_diffrn_reflns_av_sigmaI/netI    0.0231
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            16235
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         1.98
_diffrn_source                   'fine-focus sealed tube'
_diffrn_source_type              'Bruker APEX'
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    0.370
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.616
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             2240
_exptl_crystal_recrystallization_method 'Diffusion THF Solvent'
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.413
_refine_diff_density_min         -0.252
_refine_diff_density_rms         0.060
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.08(13)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     756
_refine_ls_number_reflns         7818
_refine_ls_number_restraints     649
_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.0514
_refine_ls_R_factor_gt           0.0480
_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^)+(0.1010P)^2^+2.2600P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1332
_refine_ls_wR_factor_ref         0.1395
_reflns_number_gt                7226
_reflns_number_total             7818
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b712976a.txt
_cod_data_source_block
Methyl-hepta(3,3,3-trifluropropyl)-T8-Silsesquioxane
_cod_original_sg_symbol_H-M      'C c'
_cod_database_code               7102346