Information card for entry 1505279

Structure parameters

• Formula: C13 H21 N O6
• Calculated formula: C13 H21 N O6
• SMILES: N1OC[C@@H]2C=1[C@@H]1O[C@@](OC)([C@@](O[C@H]1[C@H](O)C2)(OC)C)C
• Title of publication: Intramolecular nitrile oxide-alkene cycloaddition of sugar derivatives with unmasked hydroxyl group(s).
• Authors of publication: Shing, Tony K. M.; Wong, Wai F.; Cheng, Hau M.; Kwok, Wun S.; So, King H.
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 5
• Pages of publication: 753 - 756
• a: 7.1732 ± 0.0019 Å
• b: 7.1417 ± 0.0019 Å
• c: 14.467 ± 0.004 Å
• α: 90°
• β: 96.269 ± 0.005°
• γ: 90°
• Cell volume: 736.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0565
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.1045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No