Information card for entry 2015655

Structure parameters

• Chemical name: 1D-3-(Diphenylphosphino)-1,2:5,6-di-O-isopropylidene-4-O-methyl-chiro-inositol
• Formula: C25 H31 O6 P
• Calculated formula: C25 H31 O6 P
• SMILES: P(O[C@@H]1[C@H]2OC(O[C@H]2[C@@H]2OC(O[C@@H]2[C@H]1OC)(C)C)(C)C)(c1ccccc1)c1ccccc1
• Title of publication: 3-Diphenylphosphino-1,2:5,6-di-<i>O</i>-isopropylidene-4-<i>O</i>-methyl-1<small>D</small>-<i>chiro</i>-inositol
• Authors of publication: Gainsford, Graeme J.; Lensink Cornelis; Falshaw, Andrew
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: o650 - o652
• a: 5.7381 ± 0.0005 Å
• b: 19.5148 ± 0.0016 Å
• c: 21.9735 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2460.5 ± 0.4 ų
• Cell temperature: 166 ± 2 K
• Ambient diffraction temperature: 166 ± 2 K
• Number of distinct elements: 4
• 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: 0.057
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0553
• Weighted residual factors for all reflections included in the refinement: 0.0585
• Goodness-of-fit parameter for all reflections included in the refinement: 0.869
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes