Information card for entry 1505277

Structure parameters

• Formula: C12 H17 N O5
• Calculated formula: C12 H17 N O5
• SMILES: N1=C2[C@H](C[C@H](OC(=O)C)[C@@H]3OC(O[C@H]23)(C)C)CO1
• 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: 8.0623 ± 0.0012 Å
• b: 10.3743 ± 0.0016 Å
• c: 15.809 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1322.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0863
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1241
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No