Information card for entry 7016140

Structure parameters

• Formula: C20 H24 P2
• Calculated formula: C20 H24 P2
• SMILES: P1(P(c2ccccc2)c2ccccc2)C2CCCC1CCC2
• 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: 8.7796 ± 0.0003 Å
• b: 12.325 ± 0.0004 Å
• c: 16.0889 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1740.96 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71074 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No