Information card for entry 7151414

Structure parameters

• Formula: C8 H17 F2 O5 P
• Calculated formula: C8 H17 F2 O5 P
• SMILES: P(=O)(OC(C)C)(OC(C)C)C(F)(F)C(O)O
• Title of publication: A difluorosulfide as a Freon-free source of phosphonodifluoromethyl carbanion
• Authors of publication: Arnaud Henry-dit-Quesnel; Loic Toupet; Jean-Claude Pommelet; Thierry Lequeux
• Journal of publication: Org. Biomol. Chem.
• Year of publication: 2003
• Journal volume: 1
• Journal issue: 14
• Pages of publication: 2486 - 2491
• a: 6.751 ± 0.002 Å
• b: 24.363 ± 0.009 Å
• c: 8.091 ± 0.001 Å
• α: 90°
• β: 101.75 ± 0.02°
• γ: 90°
• Cell volume: 1302.9 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0664
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.124
• Weighted residual factors for all reflections included in the refinement: 0.1349
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No