Information card for entry 4021837

Structure parameters

• Formula: C17 H23 N O4
• Calculated formula: C17 H23 N O4
• SMILES: [C@H]1([C@]2([C@H](O)[C@H]3N(Cc4ccccc4)OC[C@H]3CO2)CCC1)O
• 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: 15.041 ± 0.017 Å
• b: 15.047 ± 0.017 Å
• c: 14.156 ± 0.016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3204 ± 6 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: 0.0666
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1371
• Weighted residual factors for all reflections included in the refinement: 0.1422
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No