Information card for entry 4100490

Structure parameters

• Formula: C20 H17 Br2 N3 O3
• Calculated formula: C20 H17 Br2 N3 O3
• SMILES: Brc1ccc(N2N=C([C@@H](C)[C@@H]2C(=O)N2C(=O)OCC2)c2ccc(Br)cc2)cc1
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 9.8843 ± 0.0003 Å
• b: 12.807 ± 0.0004 Å
• c: 16.246 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2056.55 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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