Tetrabenzo[8]circulene: Aromatic Saddles from Negatively Curved Graphene
Youichi Sakamoto; Toshiyasu Suzuki; Journal of the American Chemical Society 135 (2013) 14074–14077; doi:10.1021/ja407842z

data_4120861
_publ_section_title
;
 Tetrabenzo[8]circulene: Aromatic Saddles from Negatively Curved Graphene
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              14074
_journal_page_last               14077
_journal_paper_doi               10.1021/ja407842z
_journal_volume                  135
_journal_year                    2013
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_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                79.920(5)
_cell_angle_beta                 81.585(5)
_cell_angle_gamma                69.610(4)
_cell_formula_units_Z            4
_cell_length_a                   13.5167(6)
_cell_length_b                   13.7880(6)
_cell_length_c                   21.9025(13)
_cell_measurement_reflns_used    14208
_cell_measurement_temperature    100.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     3751.0(3)
_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
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_diffrn_measured_fraction_theta_full 0.962
_diffrn_measured_fraction_theta_max 0.962
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
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_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.031
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_diffrn_reflns_limit_l_min       -28
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_refine_ls_structure_factor_coef Fsqd
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'w = 1/[0.0010Fo^2^ + 3.0000\s(Fo^2^) + 0.5000]/(4Fo^2^)'
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_cod_data_source_block           '__F2Benz-1-100K-3rd'
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_cod_database_code               4120861