Information card for entry 4112242

Structure parameters

• Common name: [P(CH2CH2OAc)4]+I-
• Formula: C16 H28 I O8 P
• Calculated formula: C16 H28 I O8 P
• SMILES: [I-].[P+](CCOC(=O)C)(CCOC(=O)C)(CCOC(=O)C)CCOC(=O)C
• Title of publication: The Tetra(vinyl)phosphonium Cation [(CH2CH)4P]+
• Authors of publication: Uwe V. Monkowius; Stefan D. Nogai; Hubert Schmidbaur
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 1632 - 1633
• a: 10.5931 ± 0.0001 Å
• b: 10.593 Å
• c: 37.5286 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4211.19 ± 0.08 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 5
• Space group number: 120
• Hermann-Mauguin space group symbol: I -4 c 2
• Hall space group symbol: I -4 -2c
• Residual factor for all reflections: 0.0258
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0684
• Weighted residual factors for all reflections included in the refinement: 0.0714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.227
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No