Information card for entry 4119434

Structure parameters

• Formula: C39 H57 P
• Calculated formula: C39 H57 P
• SMILES: c1(c(cc(cc1C(C)C)C(C)C)C(C)C)P(c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1c(cc(cc1C)C)C
• Title of publication: Isolation and X-ray Crystal Structures of Triarylphosphine Radical Cations
• Authors of publication: Xiaobo Pan; Xiaoyu Chen; Tao Li; Yizhi Li; Xinping Wang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 3414 - 3417
• a: 10.0401 ± 0.0013 Å
• b: 16.806 ± 0.0015 Å
• c: 21.5873 ± 0.0014 Å
• α: 90°
• β: 98.712 ± 0.003°
• γ: 90°
• Cell volume: 3600.5 ± 0.6 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0747
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1506
• Weighted residual factors for all reflections included in the refinement: 0.1527
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No