Information card for entry 4335596

Structure parameters

• Formula: C12 H20 O2 P2
• Calculated formula: C12 H20 O2 P2
• SMILES: C1C(=C(CP2(=O)P1(=O)CC(=C(C2)C)C)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: 9.598 ± 0.0001 Å
• b: 20.1851 ± 0.0003 Å
• c: 6.5895 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1276.63 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0302
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No