Information card for entry 4071387

Structure parameters

• Formula: C10 H16 Cl O3 P
• Calculated formula: C10 H16 Cl O3 P
• SMILES: P1(Cl)[C@]2(O[C@@]3(O[C@@](O[C@]1(C3)C)(C2)C)C)C.P1(Cl)[C@@]2(O[C@]3(O[C@](O[C@@]1(C3)C)(C2)C)C)C
• Title of publication: General Routes to Alkyl Phosphatrioxaadamantane Ligands
• Authors of publication: Downing, Joanne H.; Floure, Joëlle; Heslop, Katie; Haddow, Mairi F.; Hopewell, Jonathan; Lusi, Matteo; Phetmung, Hirahataya; Orpen, A. Guy; Pringle, Paul G.; Pugh, Robert I.; Zambrano-Williams, Damaris
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 13
• Pages of publication: 3216
• a: 9.656 ± 0.003 Å
• b: 8.3144 ± 0.0018 Å
• c: 15.116 ± 0.002 Å
• α: 90°
• β: 100.463 ± 0.012°
• γ: 90°
• Cell volume: 1193.4 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0743
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No