Information card for entry 4100623

Structure parameters

• Formula: C17 H22 N2 O6
• Calculated formula: C17 H22 N2 O6
• SMILES: c1c(N(=O)=O)cc(N(=O)=O)cc1C(=O)O[C@H]1[C@@H]([C@@H](CC1)C(C)(C)C)C.c1c(N(=O)=O)cc(N(=O)=O)cc1C(=O)O[C@@H]1[C@H]([C@H](CC1)C(C)(C)C)C
• Authors of publication: Price, C.P.; Grzesiak, A.L.; Matzger, A.J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 20.881 ± 0.01 Å
• b: 8.843 ± 0.004 Å
• c: 10.102 ± 0.005 Å
• α: 90°
• β: 92.772 ± 0.01°
• γ: 90°
• Cell volume: 1863.1 ± 1.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No