Information card for entry 2212635

Structure parameters

• Chemical name: 2,4-Dimethyl-3,4-<i>O</i>-isopropylidene-L-arabinono lactone
• Formula: C10 H16 O5
• Calculated formula: C10 H16 O5
• SMILES: [C@]12([C@@H]([C@](C(=O)OC1)(O)C)OC(O2)(C)C)C
• Title of publication: 2,4-Dimethyl-3,4-<i>O</i>-isopropylidene-<small>L</small>-arabinono-1,5-lactone
• Authors of publication: Booth, Kathrine V.; Watkin, David J.; Jenkinson, Sarah F.; Fleet, George W. J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: o1128 - o1130
• a: 6.3457 ± 0.0002 Å
• b: 12.053 ± 0.0004 Å
• c: 14.1034 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1078.69 ± 0.06 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: 0.0421
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for all reflections: 0.1016
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1016
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8603
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes