Enantiopure anthrylene-ethynylene cyclic tetramer and racemization via rotation of anthracene unit about acetylenic axes.
Ishikawa, Takeharu; Shimasaki, Toshiaki; Akashi, Haruo; Toyota, Shinji; Organic letters 10 (2008) 417–420; doi:10.1021/ol702783v

data_1504507
_publ_section_title
;
 Enantiopure anthrylene-ethynylene cyclic tetramer and racemization via
 rotation of anthracene unit about acetylenic axes.
;
_journal_issue                   3
_journal_name_full               'Organic letters'
_journal_page_first              417
_journal_page_last               420
_journal_paper_doi               10.1021/ol702783v
_journal_volume                  10
_journal_year                    2008
_chemical_formula_moiety         'C78 H62 '
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_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                106.893(6)
_cell_angle_beta                 108.340(7)
_cell_angle_gamma                101.250(5)
_cell_formula_units_Z            2
_cell_length_a                   13.5511(19)
_cell_length_b                   14.798(2)
_cell_length_c                   14.896(3)
_cell_measurement_reflns_used    23206
_cell_measurement_temperature    93.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     2574.5(8)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
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_computing_publication_material  'CrystalStructure 3.8.0'
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_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       \w
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_diffrn_reflns_av_R_equivalents  0.085
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_diffrn_reflns_theta_full        25.75
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_exptl_absorpt_coefficient_mu    0.073
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            red
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_exptl_crystal_description       prism
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'Larson (1970) Crystallographic Computing eq. 22'
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_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0016Fo^2^ + 1.0000\s(Fo^2^) + 0.5000]/(4Fo^2^)'
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