Information card for entry 7100366

Structure parameters

• Formula: C21 H23 N5 O2
• Calculated formula: C21 H23 N5 O2
• SMILES: O=C1N([C@H]([C@H](N1C(=O)[C@@H](N=N#N)CCc1ccccc1)c1ccccc1)C)C
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 19.279 ± 0.0016 Å
• b: 6.0518 ± 0.0008 Å
• c: 17.189 ± 0.002 Å
• α: 90°
• β: 99.2 ± 0.008°
• γ: 90°
• Cell volume: 1979.7 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No