Information card for entry 2011649

Structure parameters

• Common name: (-)-epi-inosose
• Chemical name: (-)-2L-(2,3,4,6/5)-2,3,4,5,6-pentahydroxycyclohexanone
• Formula: C6 H10 O6
• Calculated formula: C6 H10 O6
• SMILES: O=C1[C@H](O)[C@@H](O)C(O)[C@H](O)[C@@H]1O
• Title of publication: (‒)-<i>epi</i>-Inosose-2
• Authors of publication: Hosomi, Hiroyuki; Ohba, Shigeru; Ogawa, Seiichiro; Takahashi, Atsushi
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 12
• Pages of publication: e584 - e585
• a: 11.197 ± 0.002 Å
• b: 8.932 ± 0.002 Å
• c: 6.976 ± 0.002 Å
• α: 90°
• β: 90.21 ± 0.02°
• γ: 90°
• Cell volume: 697.7 ± 0.3 ų
• Cell temperature: 298 ± 1 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for all reflections included in the refinement: 0.068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes