Information card for entry 2223278

Structure parameters

• Chemical name: 3,4-<i>O</i>-Isopropylidene-2,7-di-<i>O</i>-<i>p</i>-tolylsulfonyl- α-L-<i>xylo</i>-3-heptulo-3,6-furanosononitrile
• Formula: C24 H27 N O10 S2
• Calculated formula: C24 H27 N O10 S2
• SMILES: S(=O)(=O)(O[C@@H]([C@]12O[C@@H](COS(=O)(=O)c3ccc(cc3)C)[C@@H](O)[C@@H]2OC(O1)(C)C)C#N)c1ccc(cc1)C
• Title of publication: 3,4-<i>O</i>-Isopropylidene-2,7-di-<i>O</i>-<i>p</i>-tolylsulfonyl-α-<small>L</small>-<i>xylo</i>-3-heptulo-3,6-furanosononitrile
• Authors of publication: Ma, Liang; Li, Yun-Feng; Meng, Xiang-Bao; Li, Zhong-Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2437
• a: 5.6342 ± 0.0011 Å
• b: 28.771 ± 0.006 Å
• c: 8.3226 ± 0.0017 Å
• α: 90°
• β: 103 ± 0.03°
• γ: 90°
• Cell volume: 1314.5 ± 0.5 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.127
• 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