Information card for entry 7216942

Structure parameters

• Formula: C11 H22 F6 O P3
• Calculated formula: C11 H22 F6 O P3
• SMILES: P123([P+](CCCC1)(CCCC2)CCC3)O.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Bridgehead phosphorus chemistry: in‒out inversion, intrabridgehead P · · · P bonding, and reactivity
• Authors of publication: Alder, Roger W.; Butts, Craig P.; Orpen, A. Guy; Read, David
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 2
• Year of publication: 2001
• Journal issue: 3
• Pages of publication: 288
• a: 12.997 ± 0.003 Å
• b: 15.552 ± 0.002 Å
• c: 15.809 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3195.5 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1158
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1261
• Weighted residual factors for all reflections included in the refinement: 0.1382
• Goodness-of-fit parameter for all reflections included in the refinement: 0.783
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No