Clickable Di- and Tetrafunctionalized Pillar[n]arenes (n= 5, 6) by Oxidation-Reduction of Pillar[n]arene Units
Tomoki Ogoshi; Daiki Yamafuji; Daisuke Kotera; Takamichi Aoki; Shuhei Fujinami; Tada-aki Yamagishi; Journal of Organic Chemistry 77 (2012) 11146–11152; doi:10.1021/jo302283n

data_4027800
_publ_contact_author_address
;
    Department of Chemistry and Chemical Engineering, 
Graduate School of Natural Science and Technology, 
Kanazawa University, Kakuma-machi, Kanazawa 920-1192, Japan
;
_publ_contact_author_email       ' ogoshi@t.kanazawa-u.ac.jp '
_publ_contact_author_fax         ' +81(Japan)-76-234-4800 '
_publ_contact_author_name        'Dr. Tomoki Ogoshi'
_publ_contact_author_phone       ' +81(Japan)-76-234-4775 '
_publ_section_title
;
 Clickable Di- and Tetrafunctionalized Pillar[n]arenes (n= 5, 6) by
 Oxidation-Reduction of Pillar[n]arene Units
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              11146
_journal_page_last               11152
_journal_paper_doi               10.1021/jo302283n
_journal_volume                  77
_journal_year                    2012
_chemical_formula_sum            'C52 H64 O11'
_chemical_formula_weight         865.07
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_creation_date             'Fri Jun 22 11:46:41 2012'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                90
_cell_angle_beta                 94.411(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.658(2)
_cell_length_b                   17.730(2)
_cell_length_c                   20.921(2)
_cell_measurement_reflns_used    20658
_cell_measurement_temperature    123.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     5051.1(11)
_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    directMethod
_diffrn_ambient_temperature      123.2
_diffrn_detector_area_resol_mean 14.46
_diffrn_measured_fraction_theta_full 0.9891
_diffrn_measured_fraction_theta_max 0.9891
_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  0.030
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            11816
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.079
_exptl_absorpt_correction_T_max  0.994
_exptl_absorpt_correction_T_min  0.812
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Jacobson, 1998)'
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    1.137
_exptl_crystal_description       Prism
_exptl_crystal_F_000             1856.00
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.080
_refine_diff_density_max         0.99
_refine_diff_density_min         -0.30
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.798
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     566
_refine_ls_number_reflns         8445
_refine_ls_R_factor_gt           0.0688
_refine_ls_shift/su_max          0.0007
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00181|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1114
_reflns_number_gt                8445
_reflns_number_total             11449
_reflns_threshold_expression     F^2^>3.0\s(F^2^)
_cod_data_source_file            jo302283n_si_002.cif
_cod_data_source_block           '_ogosi39'
_cod_original_cell_volume        5051(1)
_cod_original_formula_sum        'C52 H64 O11 '
_cod_database_code               4027800