Information card for entry 4020354

Structure parameters

• Formula: C10 H5 N3 O2
• Calculated formula: C10 H5 N3 O2
• SMILES: c1(ccc2c(c(N(=O)=O)ccc2)n1)C#N
• Title of publication: Structure-Function Studies on a Synthetic Guanosine Receptor That Simultaneously Binds Watson-Crick and Hoogsteen Sites
• Authors of publication: Jordan R. Quinn; Steven C. Zimmerman
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 7459 - 7467
• a: 17.447 ± 0.008 Å
• b: 6.625 ± 0.003 Å
• c: 7.767 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 897.8 ± 0.7 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No