Information card for entry 7111683

Structure parameters

• Formula: C92 H116 O8
• Calculated formula: C92 H116 O8
• Title of publication: Antiaromatic twinned triphenylene discotics showing nematic phases and 2-dimensional π-overlap in the solid state
• Authors of publication: Zhang, Liang; Gopee, Hemant; Hughes, David L.; Cammidge, Andrew N.
• Journal of publication: Chemical Communications
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 24
• Pages of publication: 4255 - 4257
• a: 8.8608 ± 0.0006 Å
• b: 27.2688 ± 0.0016 Å
• c: 16.3205 ± 0.0012 Å
• α: 90°
• β: 95.592 ± 0.002°
• γ: 90°
• Cell volume: 3924.6 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0996
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1278
• Weighted residual factors for all reflections included in the refinement: 0.1411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No