Information card for entry 4335594

Structure parameters

• Formula: C30 H42 N2 P2
• Calculated formula: C30 H42 N2 P2
• SMILES: P12(P(=Nc3c(cc(cc3C)C)C)(CC(=C(C1)C)C)CC(=C(C)C2)C)=Nc1c(cc(cc1C)C)C
• Title of publication: Functionalization Reactions Characteristic of a Robust Bicyclic Diphosphane Framework
• Authors of publication: Daniel Tofan; Manuel Temprado; Subhojit Majumdar; Carl D. Hoff; Christopher C. Cummins
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 8851 - 8864
• a: 12.4334 ± 0.0001 Å
• b: 15.8501 ± 0.0002 Å
• c: 13.865 ± 0.0002 Å
• α: 90°
• β: 98.498 ± 0.001°
• γ: 90°
• Cell volume: 2702.39 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0448
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No