Information card for entry 4100625

Structure parameters

• Formula: C26 H20 N2
• Calculated formula: C26 H20 N2
• SMILES: n1c(C2=C([C@@H]([C@H]2c2ccccc2)c2ncccc2)c2ccccc2)cccc1.n1c(C2=C([C@H]([C@@H]2c2ccccc2)c2ncccc2)c2ccccc2)cccc1
• 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: 8.536 ± 0.004 Å
• b: 19.159 ± 0.008 Å
• c: 11.715 ± 0.005 Å
• α: 90°
• β: 91.962 ± 0.009°
• γ: 90°
• Cell volume: 1914.8 ± 1.4 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/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No