Information card for entry 4021839

Structure parameters

• Formula: C14 H17 N O4
• Calculated formula: C14 H17 N O4
• SMILES: N1([C@@H]2[C@@H](O)[C@H]3[C@@H](O)[C@@H]2[C@@H](O1)CO3)Cc1ccccc1
• Title of publication: Sequential Ring-Closing Metathesis and Nitrone Cycloaddition on Glucose-Derived Substrates: A Divergent Approach to Analogues of Spiroannulated Carbanucleosides and Conformationally Locked Nucleosides
• Authors of publication: Sk. Sahabuddin; Ashim Roy; Michael G. B. Drew; Biswajit Gopal Roy; Basudeb Achari; Sukhendu B. Mandal
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2006
• Journal volume: 71
• Pages of publication: 5980 - 5992
• a: 6.24 ± 0.009 Å
• b: 10.604 ± 0.012 Å
• c: 19.21 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1271 ± 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: 0.0578
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No