Information card for entry 4021112

Structure parameters

• Formula: C12 H16 N2 O5
• Calculated formula: C12 H16 N2 O5
• SMILES: O1[C@]2([C@@H](O)CCC2)[C@@H](O)C[C@H]1N1C(=O)NC(=O)C=C1
• Title of publication: Stereochemical Features of Lewis Acid-Promoted Glycosidations Involving 4'-Spiroannulated DNA Building Blocks
• Authors of publication: Leo A. Paquette; Christopher K. Seekamp; Alexandra L. Kahane; David G. Hilmey; Judith Gallucci
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 7442 - 7447
• a: 7.062 ± 0.001 Å
• b: 12.245 ± 0.002 Å
• c: 13.548 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1171.6 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No