Information card for entry 4122604

Structure parameters

• Formula: C15 H29 P3
• Calculated formula: C15 H29 P3
• SMILES: P12P([C@@H](P=C1C(C)(C)C)C(C)(C)C)[C@H]2C(C)(C)C.P12P([C@H](P=C1C(C)(C)C)C(C)(C)C)[C@@H]2C(C)(C)C
• Title of publication: Hydrogen activation by an aromatic triphosphabenzene.
• Authors of publication: Longobardi, Lauren E.; Russell, Christopher A.; Green, Michael; Townsend, Nell S.; Wang, Kun; Holmes, Arthur J.; Duckett, Simon B.; McGrady, John E.; Stephan, Douglas W.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 38
• Pages of publication: 13453 - 13457
• a: 9.5404 ± 0.0007 Å
• b: 11.9679 ± 0.001 Å
• c: 18.6011 ± 0.0011 Å
• α: 90°
• β: 120.857 ± 0.003°
• γ: 90°
• Cell volume: 1823.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1031
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.1662
• Weighted residual factors for all reflections included in the refinement: 0.1896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No