Information card for entry 4335597

Structure parameters

• Formula: C12 H20 O3 P2
• Calculated formula: C12 H20 O2.832 P2
• 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: 7.6898 ± 0.0006 Å
• b: 8.1011 ± 0.0006 Å
• c: 10.7689 ± 0.0008 Å
• α: 93.956 ± 0.002°
• β: 98.939 ± 0.002°
• γ: 101.833 ± 0.002°
• Cell volume: 645.09 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0599
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1453
• Weighted residual factors for all reflections included in the refinement: 0.1502
• Goodness-of-fit parameter for all reflections included in the refinement: 1.171
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No