Dynamic Figure Eight Chirality: Multifarious Inversions of a Helical Preference Induced by Complexation.
Katoono, Ryo; Tanaka, Yuki; Kusaka, Keiichi; Fujiwara, Kenshu; Suzuki, Takanori; The Journal of organic chemistry 80 (2015) 7613–7625; doi:10.1021/acs.joc.5b01206

data_4031321
_publ_section_title
;
 Dynamic Figure Eight Chirality: Multifarious Inversions of a Helical
 Preference Induced by Complexation.
;
_journal_issue                   15
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              7613
_journal_page_last               7625
_journal_paper_doi               10.1021/acs.joc.5b01206
_journal_volume                  80
_journal_year                    2015
_chemical_formula_moiety         'C44 H38 N2 O2'
_chemical_formula_sum            'C44 H38 N2 O2'
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_symmetry_cell_setting           triclinic
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_cell_angle_beta                 112.221(4)
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_cell_length_a                   11.829(4)
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_cell_measurement_temperature    200
_cell_measurement_theta_max      27.50
_cell_measurement_theta_min      3.00
_cell_volume                     1714.0(9)
_computing_cell_refinement       'CrystalClear-SM Expert 2.0 r16'
_computing_data_collection
'CrystalClear-SM Expert 2.0 r16 (Rigaku, 2013)'
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_computing_molecular_graphics    'CrystalStructure 4.0'
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_diffrn_ambient_temperature      200
_diffrn_detector_area_resol_mean 7.314
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Rigaku Mercury70'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0151
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_diffrn_reflns_theta_max         26.00
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_exptl_absorpt_correction_T_max  0.985
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_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            colorless
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_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
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_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
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_refine_diff_density_min         -0.580
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_refine_ls_number_reflns         6665
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_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.1130P)^2^+0.6660P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2062
_reflns_number_gt                5422
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_cod_depositor_comments
'Adding full bibliography for 4031321--4031324.cif.'
_cod_database_code               4031321