Information card for entry 4335599

Structure parameters

• Formula: C12 H20 P2 S2
• Calculated formula: C12 H20 P2 S2
• SMILES: P12(=S)P(=S)(CC(=C(C1)C)C)CC(=C(C)C2)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: 6.7523 ± 0.0006 Å
• b: 18.5199 ± 0.0017 Å
• c: 11.2782 ± 0.0011 Å
• α: 90°
• β: 90.374 ± 0.001°
• γ: 90°
• Cell volume: 1410.3 ± 0.2 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: 0.0272
• Residual factor for significantly intense reflections: 0.0227
• Weighted residual factors for significantly intense reflections: 0.0589
• Weighted residual factors for all reflections included in the refinement: 0.0619
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No