Information card for entry 7016138

Structure parameters

• Formula: C18 H30 O3 P2
• Calculated formula: C18 H30 O3 P2
• SMILES: P1(P2C3CCCC2CCC3)[C@@]2(O[C@]3(O[C@](O[C@@]1(C3)C)(C2)C)C)C.P1(P2C3CCCC2CCC3)[C@]2(O[C@@]3(O[C@@](O[C@]1(C3)C)(C2)C)C)C
• Title of publication: Diphosphanes derived from phobane and phosphatrioxa-adamantane: similarities, differences and anomalies.
• Authors of publication: Dodds, Deborah L.; Floure, Joelle; Garland, Michael; Haddow, Mairi F.; Leonard, Thomas R.; McMullin, Claire L.; Orpen, A. Guy; Pringle, Paul G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 27
• Pages of publication: 7137 - 7146
• a: 19.9995 ± 0.0005 Å
• b: 10.3237 ± 0.0002 Å
• c: 8.6944 ± 0.0002 Å
• α: 90°
• β: 92.516 ± 0.001°
• γ: 90°
• Cell volume: 1793.39 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0356
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71074 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No