Information card for entry 2018296

Structure parameters

• Common name: Racemic epi-inosose
• Chemical name: (2<i>RS</i>,3<i>SR</i>,5<i>SR</i>,6<i>SR</i>)-<i>epi</i>-inosose
• 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.O=C1[C@@H](O)[C@H](O)C(O)[C@@H](O)[C@H]1O
• Title of publication: Comparison of racemic <i>epi</i>-inosose and ({-})-<i>epi</i>-inosose
• Authors of publication: Krishnaswamy, Shobhana; Patil, Madhuri T.; Shashidhar, Mysore S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o435 - o438
• a: 11.1825 ± 0.0018 Å
• b: 6.9752 ± 0.0012 Å
• c: 8.793 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 685.9 ± 0.2 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0265
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0679
• Weighted residual factors for all reflections included in the refinement: 0.068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes