Information card for entry 7016136

Structure parameters

• Formula: C20 H32 O8 P2
• Calculated formula: C20 H32 O8 P2
• SMILES: C[C@]12C[C@]3(C)O[C@](P1(=O)P1(=O)[C@]4(C)C[C@]5(C)O[C@]1(C[C@](C)(O4)O5)C)(C[C@](C)(O2)O3)C.C[C@@]12C[C@@]3(C)O[C@@](P1(=O)P1(=O)[C@@]4(C)C[C@@]5(C)O[C@@]1(C[C@@](C)(O4)O5)C)(C[C@@](C)(O2)O3)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: 12.0015 ± 0.001 Å
• b: 12.7265 ± 0.0011 Å
• c: 14.6537 ± 0.0013 Å
• α: 90°
• β: 104.51 ± 0.002°
• γ: 90°
• Cell volume: 2166.8 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No