Information card for entry 2103592

Structure parameters

• Common name: Methyl-beta-D-arabinofuranoside
• Chemical name: Methyl-beta-D-arabinofuranoside
• Formula: C6 H12 O5
• Calculated formula: C6 H12 O5
• SMILES: O([C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)CO)C
• Title of publication: Structures of furanosides: geometrical analysis of low-temperature X-ray and neutron crystal structures of five crystalline methyl pentofuranosides
• Authors of publication: Evdokimov, Artem; Gilboa, A. Joseph; Koetzle, Thomas F.; Klooster, Wim T.; Schultz, Arthur J.; Mason, Sax A.; Albinati, Alberto; Frolow, Felix
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 2
• Pages of publication: 213 - 220
• a: 5.901 ± 0.001 Å
• b: 10.791 ± 0.002 Å
• c: 12.151 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 773.7 ± 0.2 ų
• Cell temperature: 20 ± 0.1 K
• Ambient diffraction temperature: 20 ± 0.1 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: 0.129
• Residual factor for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation probe: neutron
• Diffraction radiation type: neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No