para-Bridged Symmetrical Pillar[5]arenes: Their Lewis Acid Catalyzed Synthesis and Host-Guest Property
Tomoki Ogoshi; Suguru Kanai; Shuhei Fujinami; Tada-aki Yamagishi; Yoshiaki Nakamoto; Journal of the American Chemical Society 130 (2008) 5022–5023; doi:10.1021/ja711260m

data_4107691
_publ_contact_author_address
;
Graduate School of Natural Science and Technology,
Kanazawa University, Kakuma-machi, Kanazawa 920-1192
;
_publ_contact_author_email       ' ogoshi@t.kanazawa-u.ac.jp '
_publ_contact_author_fax         ' +81-76-234-4800 '
_publ_contact_author_name        ' Tomoki Ogoshi '
_publ_contact_author_phone       ' +81-76-234-4775 '
_publ_section_title
;
 para-Bridged Symmetrical Pillar[5]arenes: Their Lewis Acid Catalyzed
 Synthesis and Host-Guest Property
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              5022
_journal_page_last               5023
_journal_paper_doi               10.1021/ja711260m
_journal_volume                  130
_journal_year                    2008
_chemical_formula_moiety         "'C45 H50 O10 , C2 H3 N"
_chemical_formula_sum            'C47 H53 N O10'
_chemical_formula_weight         791.94
_space_group_IT_number           88
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      88
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_audit_creation_date             'Tue Jun  5 02:59:32 2007'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   14.900(2)
_cell_length_b                   14.900(2)
_cell_length_c                   38.795(5)
_cell_measurement_reflns_used    8185
_cell_measurement_temperature    123.2
_cell_measurement_theta_max      30.5
_cell_measurement_theta_min      2.7
_cell_volume                     8613(2)
_computing_cell_refinement       CRYSTALCLEAR
_computing_data_collection       CRYSTALCLEAR
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 14.46
_diffrn_measured_fraction_theta_full 0.9218
_diffrn_measured_fraction_theta_max 0.9218
_diffrn_measurement_device_type  'Rigaku/MSC Mercury CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.036
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       54
_diffrn_reflns_limit_l_min       -53
_diffrn_reflns_number            50913
_diffrn_reflns_theta_full        30.50
_diffrn_reflns_theta_max         30.50
_exptl_absorpt_coefficient_mu    0.085
_exptl_absorpt_correction_T_max  0.996
_exptl_absorpt_correction_T_min  0.860
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Jacobson, 1998)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.221
_exptl_crystal_description       Prism
_exptl_crystal_F_000             3376
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.48
_refine_diff_density_min         -0.36
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     259
_refine_ls_number_reflns         3024
_refine_ls_R_factor_gt           0.0459
_refine_ls_shift/su_max          0.0005
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00106|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0635
_reflns_number_gt                3024
_reflns_number_total             6072
_reflns_threshold_expression     F^2^>3.0\s(F^2^)
_cod_data_source_file            ja711260m-file005.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'I 41/a '
_cod_original_formula_sum        'C47 H53 N O10 '
_cod_database_code               4107691