Information card for entry 4101162

Structure parameters

• Formula: C13 H15 N O4
• Calculated formula: C13 H15 N O4
• SMILES: N1C(=O)O[C@H]2[C@@H]1[C@](OC2)(CO)Cc1ccccc1.N1C(=O)O[C@@H]2[C@H]1[C@@](OC2)(CO)Cc1ccccc1
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• a: 26.583 ± 0.0006 Å
• b: 6.453 ± 0.0002 Å
• c: 14.3538 ± 0.0003 Å
• α: 90°
• β: 100.736 ± 0.0011°
• γ: 90°
• Cell volume: 2419.15 ± 0.11 ų
• Cell temperature: 230 K
• Ambient diffraction temperature: 230 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No