Information card for entry 4109621

Structure parameters

• Formula: C32 H34
• Calculated formula: C32 H34
• SMILES: C(C)(C)(C)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccc(C(C)(C)C)cc1
• Title of publication: Structural Characterization of Quaterphenyl Cation Radical: X-ray Crystallographic Evidence of Quinoidal Charge Delocalization in Poly-p-phenylene Cation Radicals
• Authors of publication: Moloy Banerjee; Sergey V. Lindeman; Rajendra Rathore
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 8070 - 8071
• a: 11.7185 ± 0.0002 Å
• b: 11.7394 ± 0.0002 Å
• c: 34.3511 ± 0.0005 Å
• α: 90°
• β: 92.989 ± 0.001°
• γ: 90°
• Cell volume: 4719.19 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 2
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0317
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections included in the refinement: 0.0858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No