Information card for entry 2241211

Structure parameters

• Chemical name: 1,2,3,5-di-<i>O</i>-Methylene-α-<i>D</i>-xylofuranose
• Formula: C7 H10 O5
• Calculated formula: C7 H10 O5
• SMILES: O1[C@@H]2COCO[C@@H]2[C@H]2OCO[C@@H]12
• Title of publication: Crystal structure of 1,2,3,5-di-<i>O</i>-methylene-α-<small>D</small>-xylofuranose
• Authors of publication: Tiritiris, Ioannis; Tussetschläger, Stefan; Kantlehner, Willi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 11
• Pages of publication: o889
• a: 8.5509 ± 0.0011 Å
• b: 8.6327 ± 0.0011 Å
• c: 20.057 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1480.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0396
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections included in the refinement: 0.0738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes