The synthesis of optically active calix[4]arenes with one or three substituents on the methylene bridges.
Gopalsamuthiram, Vijay; Huang, Rui; Wulff, William D.; Chemical communications (Cambridge, England) 46 (2010) 8213–8215; doi:10.1039/c0cc02689a

data_7112953
_publ_section_title
;
 The synthesis of optically active calix[4]arenes with one or three
 substituents on the methylene bridges.
;
_journal_issue                   43
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              8213
_journal_page_last               8215
_journal_paper_doi               10.1039/c0cc02689a
_journal_volume                  46
_journal_year                    2010
_chemical_formula_sum            'C35.5 H39 Cl O7'
_chemical_formula_weight         613.11
_space_group_IT_number           1
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_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                108.80(3)
_cell_angle_beta                 96.93(3)
_cell_angle_gamma                107.54(3)
_cell_formula_units_Z            2
_cell_length_a                   11.190(2)
_cell_length_b                   11.396(2)
_cell_length_c                   14.071(3)
_cell_measurement_temperature    173(2)
_cell_volume                     1571.8(8)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.949
_diffrn_measured_fraction_theta_max 0.949
_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  0.0436
_diffrn_reflns_av_sigmaI/netI    0.1287
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            19128
_diffrn_reflns_theta_full        28.32
_diffrn_reflns_theta_max         28.32
_diffrn_reflns_theta_min         1.58
_exptl_absorpt_coefficient_mu    0.170
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_density_diffrn    1.295
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             650
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.344
_refine_diff_density_min         -0.386
_refine_diff_density_rms         0.057
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.01(8)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.724
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     784
_refine_ls_number_reflns         14123
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      0.724
_refine_ls_R_factor_all          0.1196
_refine_ls_R_factor_gt           0.0547
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1271
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0cc02689a.txt
_cod_data_source_block           wf060905
_cod_original_cell_volume        1571.8(5)
_cod_original_sg_symbol_H-M      P1
_cod_database_code               7112953