Information card for entry 4350612

Structure parameters

• Formula: C37 H53 O8 P S
• Calculated formula: C37 H44 O8 P S
• Title of publication: Biologically relevant phosphoranes: synthesis and structural characterization of glucofuranose-derived phosphoranes with penta- and hexacoordination at phosphorus.
• 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: 26
• Pages of publication: 10836 - 10848
• a: 17.1545 ± 0.0002 Å
• b: 11.1392 ± 0.0001 Å
• c: 19.8162 ± 0.0002 Å
• α: 90°
• β: 91.4254 ± 0.0004°
• γ: 90°
• Cell volume: 3785.45 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0691
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1319
• Weighted residual factors for all reflections included in the refinement: 0.1414
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No