Information card for entry 4130498

Structure parameters

• Formula: C56 H68 P2
• Calculated formula: C56 H68 P2
• SMILES: c1(C(C)(C)C)c(P=C2c3c(c4c2cccc4)cc2C(=Pc4c(cc(cc4C(C)(C)C)C(C)(C)C)C(C)(C)C)c4c(c2c3)cccc4)c(cc(c1)C(C)(C)C)C(C)(C)C
• Title of publication: Isolable Diphosphorus-Centered Radical Anion and Diradical Dianion.
• Authors of publication: Tan, Gengwen; Li, Shuyu; Chen, Sheng; Sui, Yunxia; Zhao, Yue; Wang, Xinping
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 21
• Pages of publication: 6735 - 6738
• a: 30.27 ± 0.006 Å
• b: 9.006 ± 0.0018 Å
• c: 17.97 ± 0.004 Å
• α: 90°
• β: 102.24 ± 0.03°
• γ: 90°
• Cell volume: 4787.5 ± 1.8 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0912
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1262
• Weighted residual factors for all reflections included in the refinement: 0.1406
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No