Information card for entry 4332063

Structure parameters

• Formula: C45 H65 O9 P
• Calculated formula: C45 H65 O9 P
• SMILES: P1(O[C@@H]([C@H]2O[C@@H]3OC(O[C@@H]3[C@H]2O)(C)C)CO1)(Oc1c(cccc1C(C)C)C(C)C)(Oc1c(cccc1C(C)C)C(C)C)Oc1c(cccc1C(C)C)C(C)C
• Title of publication: Biologically Relevant Phosphoranes: Structural Characterization of Glucofuranose- and Xylofuranose-Based Phosphoranes1
• Authors of publication: Timosheva, Natalya V.; Chandrasekaran, A.; Holmes, Robert R.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 7
• Pages of publication: 3113 - 3123
• a: 11.0122 ± 0.0002 Å
• b: 11.9486 ± 0.0002 Å
• c: 17.6226 ± 0.0003 Å
• α: 90°
• β: 105.816 ± 0.0006°
• γ: 90°
• Cell volume: 2231 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0414
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections included in the refinement: 0.0829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No