Information card for entry 2214793

Structure parameters

• Chemical name: 2,4-Di-<i>C</i>-methyl-α-L-arabinose monohydrate
• Formula: C7 H16 O6
• Calculated formula: C7 H16 O6
• SMILES: [C@@]1([C@H]([C@](CO[C@H]1O)(O)C)O)(O)C.O
• Title of publication: 2,4-Di-<i>C</i>-methyl-α-<small>L</small>-arabinose monohydrate
• Authors of publication: Booth, Kathrine V.; Jenkinson, Sarah F.; Watkin, David J.; Fleet, George W. J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3592 - o3593
• a: 6.57 ± 0.0002 Å
• b: 9.1317 ± 0.0003 Å
• c: 15.3916 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 923.42 ± 0.05 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• 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: 0.0335
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for all reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.0686
• Weighted residual factors for all reflections included in the refinement: 0.0699
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9386
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No