5,7-<i>syn</i>-Bis(trimethylsilyl)-5-norbornene-2,3-<i>endo</i>-dicarboxylic acid: a rare co-existence of dimeric and catemeric synthons
Begum, Noor Shahina; Vasundhara, D. E.; Girija, C. R.; Nagendrappa, Gopalpur; Acta Crystallographica Section C 64 (2008) o423–o425; doi:10.1107/S010827010801857X

data_2016709
_publ_section_title
;
 5,7-<i>syn</i>-Bis(trimethylsilyl)-5-norbornene-2,3-<i>endo</i>-dicarboxylic
 acid: a rare co-existence of dimeric and catemeric synthons
;
_journal_coeditor_code           FA3150
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              o423
_journal_page_last               o425
_journal_paper_doi               10.1107/S010827010801857X
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          'C15 H26 O4 Si2'
_chemical_formula_moiety         'C15 H26 O4 Si2'
_chemical_formula_sum            'C15 H26 O4 Si2'
_chemical_formula_weight         326.54
_chemical_name_systematic
;
5,<i>syn</i>-7-Bis(trimethylsilyl)-5-norbornene-<i>endo</i>-2,3-dicarboxylic
acid
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 97.667(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.9370(4)
_cell_length_b                   6.8184(16)
_cell_length_c                   16.5770(4)
_cell_measurement_reflns_used    21556
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.0
_cell_measurement_theta_min      1.21
_cell_volume                     1897.3(5)
_computing_cell_refinement       'SAINT-Plus (Bruker, 1998)'
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        'SAINT-Plus (Bruker, 1998)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_measured_fraction_theta_full 1
_diffrn_measured_fraction_theta_max 1
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       '\f and \w'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0341
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            17324
_diffrn_reflns_theta_full        25
_diffrn_reflns_theta_max         25
_diffrn_reflns_theta_min         1.21
_exptl_absorpt_coefficient_mu    0.198
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.143
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rectangular
_exptl_crystal_F_000             704
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.162
_refine_diff_density_min         -0.333
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.116
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     228
_refine_ls_number_reflns         3338
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.116
_refine_ls_R_factor_gt           0.0677
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.1196P)^2^+0.2522P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1824
_reflns_number_gt                2641
_reflns_number_total             3338
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            fa3150.cif
_cod_data_source_block           II
_cod_original_cell_volume        1897.3(4)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2016709
_cod_database_fobs_code          2016709