Information card for entry 4126068

Structure parameters

• Formula: C133 H92 O
• Calculated formula: C133 H92 O
• Title of publication: π-Extended and Curved Anti-Aromatic Polycyclic Hydrocarbons.
• Authors of publication: Liu, Junzhi; Ma, Ji; Zhang, Ke; Ravat, Prince; Machata, Peter; Avdoshenko, Stanislav M.; Hennersdorf, Felix; Komber, Hartmut; Pisula, Wojciech; Weigand, Jan J.; Popov, Alexey A.; Berger, Reinhard; Müllen, Klaus; Feng, Xinliang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 11.3283 ± 0.0003 Å
• b: 12.3518 ± 0.0003 Å
• c: 17.8043 ± 0.0006 Å
• α: 94.985 ± 0.003°
• β: 91.707 ± 0.002°
• γ: 116.401 ± 0.003°
• Cell volume: 2216.45 ± 0.13 ų
• Cell temperature: 100 ± 0.3 K
• Ambient diffraction temperature: 100 ± 0.3 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.1182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No