Information card for entry 7100001

Structure parameters

• Formula: C13 H16 N4 O2
• Calculated formula: C13 H16 N4 O2
• Title of publication: The Influence of Sterics on the Formation of Polar 1-D Hydrogen-Bonded Networks
• Authors of publication: Jon Parquette; Judith C. Gallucci; Adam J. Preston
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 32.0792 ± 0.0005 Å
• b: 14.408 ± 0.0002 Å
• c: 7.2035 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3329.44 ± 0.08 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No