Information card for entry 7016139

Structure parameters

• Formula: C22 H26 O3 P2
• Calculated formula: C22 H26 O3 P2
• SMILES: P1(P(c2ccccc2)c2ccccc2)[C@]2(O[C@@]3(O[C@@](O[C@]1(C3)C)(C2)C)C)C.P1(P(c2ccccc2)c2ccccc2)[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: 25.664 ± 0.005 Å
• b: 11.194 ± 0.002 Å
• c: 7.1808 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2062.9 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0357
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No