Information card for entry 2238486

Structure parameters

• Common name: 1,2:1',2'-Di-<i>O</i>-isopropylidenedifuranose
• Chemical name: 6-{5-Ethyl-6-hydroxy-2,2-dimethyltetrahydro-2<i>H</i>-furo[2,3-<i>d</i>][1,3]dioxol-6a-yl}-5-ethylidene-2,2-dimethyl-tetrahydro-2<i>H</i>-furo[2,3-<i>d</i>][1,3]dioxol-6-ol
• Formula: C18 H28 O8
• Calculated formula: C18 H28 O8
• SMILES: CC[C@@H]1O[C@H]2[C@@]([C@@H]1O)(OC(O2)(C)C)[C@@]1(O)C(=C/C)/O[C@H]2[C@@H]1OC(O2)(C)C
• Title of publication: 1,2:1',2'-Di-<i>O</i>-isopropylidenedifuranose-C12 higher carbon sugar
• Authors of publication: Zhang, Qiurong; Zhou, Guangqiang; He, Peng; Chen, Xuebin; Liu, Hongmin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 9
• Pages of publication: o1399
• a: 21.5802 ± 0.0006 Å
• b: 15.3758 ± 0.0004 Å
• c: 5.73626 ± 0.00014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1903.36 ± 0.09 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 3
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0416
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes