Information card for entry 2235817

Structure parameters

• Chemical name: 1,2,3,4,5,6-Hexa-<i>O</i>-acetyl-<i>scyllo</i>-inositol
• Formula: C18 H24 O12
• Calculated formula: C18 H24 O12
• Title of publication: 1,2,3,4,5,6-Hexa-<i>O</i>-acetyl-<i>scyllo</i>-inositol
• Authors of publication: Kant, Rajni; Gupta, Vivek K.; Kapoor, Kamini; Chib, Renu; Shah, Bhahwal A.; Taneja, Subhash C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o2594
• a: 12.901 ± 0.003 Å
• b: 14.013 ± 0.003 Å
• c: 5.8572 ± 0.0012 Å
• α: 90°
• β: 97.33 ± 0.02°
• γ: 90°
• Cell volume: 1050.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.1248
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.174
• Weighted residual factors for all reflections included in the refinement: 0.1982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes