Information card for entry 4350610

Structure parameters

• Formula: C33 H44 F3 O11 P S
• Calculated formula: C33 H43 F3 O11 P S
• SMILES: P12(O[C@@H]([C@H]3O[C@@H]4OC(O[C@@H]4[C@H]3O)(C)C)CO1)(Oc1c(cc(cc1S(=O)(=O)c1cc(cc(c1O2)C(C)(C)C)C)C)C(C)(C)C)OCC(F)(F)F
• 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: 9.5531 ± 0.0001 Å
• b: 26.3363 ± 0.0004 Å
• c: 14.8612 ± 0.0002 Å
• α: 90°
• β: 105.001 ± 0.0007°
• γ: 90°
• Cell volume: 3611.56 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1255
• Weighted residual factors for all reflections included in the refinement: 0.1313
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No