Information card for entry 2008853

Structure parameters

• Chemical name: (1-D-1,2:5,6-di-O-isopropylidene-3-O-(diphenylphosphinoyl)-chiro-inositol
• Formula: C24 H29 O7 P
• Calculated formula: C24 H29 O7 P
• SMILES: P(=O)(O[C@H]1[C@H](O)[C@H]2OC(O[C@H]2[C@@H]2OC(O[C@H]12)(C)C)(C)C)(c1ccccc1)c1ccccc1
• Title of publication: 1-<small>D</small>-1,2:5,6-Di-<i>O</i>-isopropylidene-3-<i>O</i>-(diphenylphosphinoyl)-<i>chiro</i>-inositol, a hydrogen-bonded dimeric structure
• Authors of publication: Falshaw, Andrew; Gainsford, Graeme J.; Lensink, Cornelis
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 8
• Pages of publication: 1353 - 1355
• a: 9.556 ± 0.003 Å
• b: 11.007 ± 0.003 Å
• c: 12.713 ± 0.004 Å
• α: 111.67 ± 0.02°
• β: 107.02 ± 0.02°
• γ: 99.25 ± 0.02°
• Cell volume: 1132.6 ± 0.7 ų
• Cell temperature: 158 ± 2 K
• Ambient diffraction temperature: 158 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.097
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for all reflections: 0.181
• Weighted residual factors for significantly intense reflections: 0.161
• Goodness-of-fit parameter for all reflections: 0.998
• Goodness-of-fit parameter for significantly intense reflections: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No