Information card for entry 4101053

Structure parameters

• Formula: C21 H28 N2 O7
• Calculated formula: C21 H28 N2 O7
• SMILES: N(C(=O)OC(C)(C)C)C(C(=O)N1[C@H](C(=O)OCc2ccccc2)[C@H](OC1=O)C)(C)C
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• a: 17.5448 ± 0.0003 Å
• b: 17.5448 ± 0.0003 Å
• c: 15.1596 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4666.43 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 80
• Hermann-Mauguin space group symbol: I 41
• Hall space group symbol: I 4bw
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No