Information card for entry 4332061

Structure parameters

• Formula: C41 H59 Cl3 F O9 P
• Calculated formula: C41 H50 Cl3 F O9 P
• 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: 9.8938 ± 0.0001 Å
• b: 10.2598 ± 0.0001 Å
• c: 44.2594 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4492.7 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0615
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1251
• Weighted residual factors for all reflections included in the refinement: 0.1327
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No