Information card for entry 4129055

Structure parameters

• Formula: C117 H88
• Calculated formula: C117 H88
• Title of publication: Linear [3]Spirobifluorenylene: An S-Shaped Molecular Geometry of <i>p</i>-Oligophenyls.
• Authors of publication: Oniki, Jumpei; Moriuchi, Toshiyuki; Kamochi, Kosuke; Tobisu, Mamoru; Amaya, Toru
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• a: 9.9588 ± 0.0001 Å
• b: 18.0963 ± 0.0003 Å
• c: 23.5648 ± 0.0004 Å
• α: 88.1162 ± 0.0014°
• β: 78.2974 ± 0.0012°
• γ: 80.0559 ± 0.0011°
• Cell volume: 4096.03 ± 0.11 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.112
• Residual factor for significantly intense reflections: 0.107
• Weighted residual factors for significantly intense reflections: 0.2314
• Weighted residual factors for all reflections included in the refinement: 0.235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No