Information card for entry 4350611

Structure parameters

• Formula: C57 H61 O10 P S
• Calculated formula: C57 H61 O10 P S
• SMILES: P123(O[C@@H]4[C@H]5OC(O[C@H]5O[C@@H]4[C@H](O1)CO2)(C)C)Oc1c(cc(cc1S(=O)(=O)c1cc(cc(c1O3)C(C)(C)c1ccccc1)C(C)(C)c1ccccc1)C(C)(C)c1ccccc1)C(C)(C)c1ccccc1
• 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: 11.0705 ± 0.0001 Å
• b: 12.6674 ± 0.0001 Å
• c: 18.8035 ± 0.0003 Å
• α: 90°
• β: 101.415 ± 0.0006°
• γ: 90°
• Cell volume: 2584.74 ± 0.05 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: 0.0429
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1085
• 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