Information card for entry 7155344

Structure parameters

• Chemical name: Butyl 2-deoxy-3,6-anhydro-beta-D-arabinohexofuranoside
• Formula: C10 H18 O5
• Calculated formula: C10 H18 O5
• SMILES: [C@H]1(CO[C@H]2[C@@H]1O[C@H]([C@@H]2O)OCCCC)O
• Title of publication: Total synthesis, structural elucidation and anti-inflammatory activity evaluation of 2-deoxy-3,6-anhydro hexofuranoside derivatives isolated from Sauropus rostratus.
• Authors of publication: Zhang, Chenxi; Wang, Chengcheng; Wang, Zihao; Tanabe, Genzoh; Muraoka, Osamu; Lin, Aijun; Xu, Jinyi; Wu, Xiaoming; Wu, Liang; Xie, Weijia
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 46
• Pages of publication: 10906 - 10913
• a: 5.3124 ± 0.0004 Å
• b: 7.0459 ± 0.0008 Å
• c: 29.215 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1093.54 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0602
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1604
• Weighted residual factors for all reflections included in the refinement: 0.1604
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No