Designed molecular propellers based on tetraarylterephthalamide and their chiroptical properties induced by biased helicity through transmission of point chirality.
Katoono, Ryo; Kawai, Hidetoshi; Fujiwara, Kenshu; Suzuki, Takanori; Chemical communications (Cambridge, England)  (2008) 4906–4908; doi:10.1039/b808936a

data_7103425
_publ_section_title
;
 Designed molecular propellers based on tetraarylterephthalamide and
 their chiroptical properties induced by biased helicity through
 transmission of point chirality.
;
_journal_issue                   40
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              4906
_journal_page_last               4908
_journal_paper_doi               10.1039/b808936a
_journal_year                    2008
_chemical_formula_moiety         'C58 H66 N2 O6 '
_chemical_formula_sum            'C58 H66 N2 O6'
_chemical_formula_weight         887.17
_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'
_cell_angle_alpha                106.388(5)
_cell_angle_beta                 96.224(5)
_cell_angle_gamma                100.015(5)
_cell_formula_units_Z            1
_cell_length_a                   9.668(3)
_cell_length_b                   11.144(4)
_cell_length_c                   11.778(4)
_cell_measurement_reflns_used    2620
_cell_measurement_temperature    153.1
_cell_measurement_theta_max      27.1
_cell_measurement_theta_min      3.0
_cell_volume                     1182.0(7)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.962
_diffrn_measured_fraction_theta_max 0.962
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.031
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            10719
_diffrn_reflns_theta_full        27.10
_diffrn_reflns_theta_max         27.10
_exptl_absorpt_coefficient_mu    0.080
_exptl_absorpt_correction_T_max  0.988
_exptl_absorpt_correction_T_min  0.892
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.246
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             476.00
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.56
_refine_diff_density_min         -0.46
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     331
_refine_ls_number_reflns         5029
_refine_ls_R_factor_gt           0.0724
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0029Fo^2^ + 1.0000\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2246
_reflns_number_gt                2795
_reflns_number_total             5029
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b808936a.txt
_cod_data_source_block           '__051006kr'
_cod_original_formula_sum        'C58 H66 N2 O6 '
_cod_database_code               7103425