Information card for entry 2205294

Structure parameters

• Chemical name: Methyl 4-O-benzyl-6-deoxy-2,3-O-isopropylidene-α-L-talopyranoside
• Formula: C17 H24 O5
• Calculated formula: C17 H24 O5
• SMILES: [C@@H]1([C@H]2[C@@H]([C@@H]([C@H](C)O1)OCc1ccccc1)OC(C)(C)O2)OC
• Title of publication: Methyl 4-<i>O</i>-benzyl-6-deoxy-2,3-<i>O</i>-isopropylidene-α-<small>L</small>-talopyranoside
• Authors of publication: Maust, Mathew T.; Norris, Peter; Zeller, Matthias
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: o643 - o644
• a: 9.2495 ± 0.0009 Å
• b: 10.0013 ± 0.001 Å
• c: 17.2359 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1594.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0398
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.0987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes