Information card for entry 4071384

Structure parameters

• Formula: C30 H57 O3 P
• Calculated formula: C30 H57 O3 P
• SMILES: P1([C@@]2(O[C@]3(O[C@](O[C@@]1(C3)C)(C2)C)C)C)CCCCCCCCCCCCCCCCCCCC.P1([C@]2(O[C@@]3(O[C@@](O[C@]1(C3)C)(C2)C)C)C)CCCCCCCCCCCCCCCCCCCC
• 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: 8.6589 ± 0.0013 Å
• b: 10.335 ± 0.009 Å
• c: 17.863 ± 0.002 Å
• α: 89.713 ± 0.014°
• β: 77.73 ± 0.014°
• γ: 73.231 ± 0.017°
• Cell volume: 1492.9 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0697
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.1232
• Goodness-of-fit parameter for all reflections included in the refinement: 0.94
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No