Information card for entry 4323145

Structure parameters

• Formula: C11 H20 P2 S5
• Calculated formula: C11 H20 P2 S5
• SMILES: S1P2(=S)SP3(SC1(C(C)(C)C)CC23C(C)(C)C)=S
• Title of publication: Reaction of β-Diketones with P4S10 To Produce Novel Alkyl-Phosphorus-Sulfur Clusters
• Authors of publication: Scott Flanagan; Henry A. Luten; William S. Rees
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 6093 - 6095
• a: 11.9643 ± 0.0001 Å
• b: 16.087 ± 0.0001 Å
• c: 17.8681 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3439.07 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0277
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for all reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.0627
• Goodness-of-fit parameter for all reflections: 1.071
• Goodness-of-fit parameter for significantly intense reflections: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No