Information card for entry 2008324

Structure parameters

• Chemical name: ethyl-5,7,8-tri-O-acetyl-2-deoxy-α-D-erythro-L-arabino-oct-3-ulofuranosid- 1,4-lactone
• Formula: C16 H22 O10
• Calculated formula: C16 H22 O10
• SMILES: O([C@]12O[C@H]([C@H](OC(=O)C)[C@H]1OC(=O)C2)[C@H](OC(=O)C)COC(=O)C)CC
• Title of publication: A fused furanoside-1,4-lactone at 173K
• Authors of publication: Linden, Anthony; Lee, C. Kuan; Li, Xiaofeng
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 4
• Pages of publication: 642 - 644
• a: 9.022 ± 0.003 Å
• b: 15.576 ± 0.002 Å
• c: 13.489 ± 0.003 Å
• α: 90°
• β: 103.52 ± 0.02°
• γ: 90°
• Cell volume: 1843 ± 0.8 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 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 all reflections: 0.089
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes