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_7103424
_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_absolute_configuration rm
_chemical_formula_moiety         'C54 H64 N2 O6 '
_chemical_formula_sum            'C54 H64 N2 O6'
_chemical_formula_weight         837.11
_space_group_IT_number           1
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                86.986(10)
_cell_angle_beta                 81.092(9)
_cell_angle_gamma                85.727(9)
_cell_formula_units_Z            1
_cell_length_a                   6.305(2)
_cell_length_b                   13.323(5)
_cell_length_c                   13.959(5)
_cell_measurement_reflns_used    4548
_cell_measurement_temperature    153.1
_cell_measurement_theta_max      27.1
_cell_measurement_theta_min      3.1
_cell_volume                     1154.1(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    SIR97
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.960
_diffrn_measured_fraction_theta_max 0.960
_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  0.010
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            10333
_diffrn_reflns_theta_full        27.09
_diffrn_reflns_theta_max         27.09
_exptl_absorpt_coefficient_mu    0.077
_exptl_absorpt_correction_T_max  0.977
_exptl_absorpt_correction_T_min  0.915
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.204
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             450.00
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.52
_refine_diff_density_min         -0.29
_refine_ls_extinction_coef       102(33)
_refine_ls_extinction_method
'Larson (1970) Crystallographic Computing eq. 22'
_refine_ls_goodness_of_fit_ref   1.006
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     669
_refine_ls_number_reflns         7239
_refine_ls_R_factor_gt           0.0430
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0027Fo^2^ + 1.0000\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1321
_reflns_number_gt                6810
_reflns_number_total             7239
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b808936a.txt
_cod_data_source_block           '__050906kr'
_cod_original_formula_sum        'C54 H64 N2 O6 '
_cod_database_code               7103424