Information card for entry 4071383

Structure parameters

• Formula: C24 H30 Br O3 P
• Calculated formula: C24 H30 Br O3 P
• SMILES: [Br-].[P+]1([C@]2(O[C@@]3(O[C@@](O[C@]1(C3)C)(C2)C)C)C)(Cc1ccccc1)Cc1ccccc1.[Br-].[P+]1([C@@]2(O[C@]3(O[C@](O[C@@]1(C3)C)(C2)C)C)C)(Cc1ccccc1)Cc1ccccc1
• 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: 10.108 ± 0.005 Å
• b: 10.339 ± 0.004 Å
• c: 11.856 ± 0.002 Å
• α: 71.83 ± 0.02°
• β: 88.97 ± 0.03°
• γ: 73.25 ± 0.03°
• Cell volume: 1123.8 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0395
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0622
• Weighted residual factors for all reflections included in the refinement: 0.0643
• Goodness-of-fit parameter for all reflections included in the refinement: 0.915
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No