Information card for entry 4020208

Structure parameters

• Formula: C12 H17 N O7
• Calculated formula: C12 H17 N O7
• SMILES: N1C(=O)O[C@H]2[C@@H]3OC(OC[C@H]3O[C@H](OC(=O)C)[C@@H]12)(C)C
• Authors of publication: Rena Bodner; Bridget K. Marcellino; Alexandra Severino; Abigail L. Smenton; Christian M. Rojas
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 3988 - 3996
• a: 17.9579 ± 0.0019 Å
• b: 7.8494 ± 0.0009 Å
• c: 11.428 ± 0.0015 Å
• α: 90°
• β: 120.223 ± 0.001°
• γ: 90°
• Cell volume: 1391.9 ± 0.3 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No