Information card for entry 4100600

Structure parameters

• Formula: C21 H26 N2 O5
• Calculated formula: C21 H26 N2 O5
• SMILES: C(=O)([C@H](C)OCOC)N(c1ccc(cc1)N(=O)=O)c1c(cccc1)C(C)(C)C
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 9.93 ± 0.0003 Å
• b: 7.879 ± 0.0001 Å
• c: 25.78 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2016.99 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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