Information card for entry 4020259

Structure parameters

• Formula: C18 H19 Br N4 O8
• Calculated formula: C18 H19 Br N4 O8
• SMILES: O1[C@H](N=N#N)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1C(=O)Nc1ccc(Br)cc1
• Authors of publication: Manuela Tosin; Colin O'Brien; Geraldine M. Fitzpatrick; Helge Müller-Bunz; W. Kenneth Glass; Paul V. Murphy
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 4096 - 4106
• a: 11.7529 ± 0.0007 Å
• b: 11.7529 ± 0.0007 Å
• c: 15.9649 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2205.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 76
• Hermann-Mauguin space group symbol: P 41
• Hall space group symbol: P 4w
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No