Information card for entry 7114769

Structure parameters

• Formula: C22 H40 P2
• Calculated formula: C22 H40 P2
• SMILES: P1(C2(P(C12C(C)(C)C)C1CCCCC1)C(C)(C)C)C1CCCCC1
• Title of publication: Synthesis, crystal structure and theoretical studies of the first endo∶endo-2,4-diphosphabicyclo[1.1.0]butane
• Authors of publication: Jones, Cameron; Platts, Jamie A.; Richards, Anne F.
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 7
• Pages of publication: 663
• a: 9.945 ± 0.002 Å
• b: 14.071 ± 0.003 Å
• c: 16.065 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2248.1 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0466
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1223
• Weighted residual factors for all reflections included in the refinement: 0.1344
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No