Information card for entry 4100627

Structure parameters

• Formula: C26 H20 N2
• Calculated formula: C26 H20 N2
• SMILES: c1cccc(/C=C(/C(=C/c2ccccn2)c2ccccc2)c2ccccc2)n1
• Title of publication: 1,5-Diamino-4-methyltetrazolium dinitramide
• Authors of publication: Thomas M. Klapoẗke; Peter Mayer; Axel Schulz; Jan J. Weigand
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 5.7943 ± 0.0006 Å
• b: 10.6358 ± 0.0011 Å
• c: 15.5975 ± 0.0016 Å
• α: 90°
• β: 90.385 ± 0.002°
• γ: 90°
• Cell volume: 961.21 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No