Synthesis of mixed heterocalixarenes from benzofuranyl methanols and activated indoles
Black, David StC; Craig, Donald C.; Rezaie, Robert; Chemical Communications  (2002) 810–; doi:10.1039/b200373b

data_7111199
_publ_section_title
;
 Synthesis of mixed heterocalixarenes from benzofuranyl methanols and
 activated indoles
;
_journal_issue                   8
_journal_name_full               'Chemical Communications'
_journal_page_first              810
_journal_paper_doi               10.1039/b200373b
_journal_year                    2002
_chemical_formula_moiety         'C47 H50 Br N O8, C H2 Cl2'
_chemical_formula_sum            'C48 H52 Br Cl2 N O8'
_chemical_formula_weight         921.8
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_atom_type_scat_source
'International Tables for X-ray Crystallography, Vol. IV'
_audit_creation_method           'RAELSPUB and manual entry'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   31.590(5)
_cell_length_b                   14.915(4)
_cell_length_c                   19.093(2)
_cell_measurement_reflns_used    10
_cell_measurement_temperature    294
_cell_measurement_theta_max      22
_cell_measurement_theta_min      20
_cell_volume                     8996(3)
_diffrn_measurement_device_type  'Nonius CAD-4'
_diffrn_measurement_method       \w--2\q
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            4630
_diffrn_reflns_theta_max         50
_diffrn_standards_decay_%        8
_diffrn_standards_interval_time  30min
_diffrn_standards_number         1
_exptl_absorpt_coefficient_mu    2.794
_exptl_absorpt_correction_T_max  0.70
_exptl_absorpt_correction_T_min  0.57
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   '(DeMeulenaer & Tompa, 1965)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.36
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       tabular
_exptl_crystal_F_000             3840.0
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.83
_refine_diff_density_min         -0.93
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   3.29
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     212
_refine_ls_number_reflns         2896
_refine_ls_R_factor_gt           0.070
_refine_ls_shift/su_max          0.002
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F) + 0.0016F^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.097
_reflns_number_gt                2896
_reflns_number_total             4630
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            b200373bsup1.cif
_cod_data_source_block           DDB79
_cod_database_code               7111199