Information card for entry 4103972

Structure parameters

• Formula: C10 H20 Cl O2 P
• Calculated formula: C10 H20 Cl O2 P
• SMILES: [Cl-].[P+]1(CO)(CO)C2CCCC1CCC2
• Title of publication: Anatomy of Phobanes. Diastereoselective Synthesis of the Three Isomers of n-Butylphobane and a Comparison of their Donor Properties
• Authors of publication: Monica Carreira; Manutsavin Charernsuk; Michael Eberhard; Natalie Fey; Roel van Ginkel; Alex Hamilton; Wilhelmus P. Mul; A. Guy Orpen; Hirihataya Phetmung; Paul G. Pringle
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 3078 - 3092
• a: 25.078 ± 0.003 Å
• b: 7.7656 ± 0.0012 Å
• c: 11.962 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2329.5 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0542
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No