Serial synthesis of oxa[3.n]cyclophanes and homooxacalix[n]arenes via reductive coupling of arenedialdehydes, and their X-ray structures
Komatsu, Naoki; Chishiro, Takefumi; Journal of the Chemical Society, Perkin Transactions 1  (2001) 1532–1537; doi:10.1039/b102031p

data_7204133
_publ_section_title
;
 Serial synthesis of oxa[3.n]cyclophanes and homooxacalix[n]arenes via
 reductive coupling of arenedialdehydes, and their X-ray structures
;
_journal_coden_ASTM              JCSPCE
_journal_issue                   13
_journal_name_full
'Journal of the Chemical Society, Perkin Transactions 1'
_journal_page_first              1532
_journal_page_last               1537
_journal_paper_doi               10.1039/b102031p
_journal_year                    2001
_chemical_formula_sum            'C40 H48 O8 S4'
_chemical_formula_weight         785.05
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             'Thu Nov 30 19:57:10 2000'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                100.26(2)
_cell_angle_beta                 107.11(2)
_cell_angle_gamma                116.99(1)
_cell_formula_units_Z            2
_cell_length_a                   13.210(3)
_cell_length_b                   14.508(3)
_cell_length_c                   13.117(2)
_cell_measurement_reflns_used    24
_cell_measurement_temperature    295.7
_cell_measurement_theta_max      13.1
_cell_measurement_theta_min      10.1
_cell_volume                     1992.5(9)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan Ver. 1.10'
_computing_publication_material  'teXsan Ver. 1.10'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR92
_diffrn_measured_fraction_theta_full 1.0002
_diffrn_measured_fraction_theta_max 1.0002
_diffrn_measurement_device_type  'Rigaku AFC7S'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.025
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            9533
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_standards_decay_%        0.69
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.289
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.309
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.380
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.120
_refine_diff_density_max         0.55
_refine_diff_density_min         -0.48
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.342
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     469
_refine_ls_number_reflns         3603
_refine_ls_R_factor_gt           0.0595
_refine_ls_shift/su_max          0.0003
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00207|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0876
_reflns_number_gt                3603
_reflns_number_total             9133
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b102031p.txt
_cod_data_source_block           chishiro990224-1
_cod_original_cell_volume        1992.3(8)
_cod_original_sg_symbol_H-M      'P -1         '
_cod_original_formula_sum        'C40 H48 O8 S4 '
_cod_database_code               7204133