Information card for entry 8101176

Structure parameters

• Formula: C9 H11 N5
• Calculated formula: C9 H11 N5
• Title of publication: Crystal structure of 9-(3-butenyl)-adenine, C~9~H11N~5~
• Authors of publication: Crisp, G. T.; Jiang, Y.-L.; Tiekink, E. R. T.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2000
• Journal volume: 215
• Journal issue: 1
• Pages of publication: 83 - 84
• a: 10.084 ± 0.006 Å
• b: 7.92 ± 0.006 Å
• c: 11.772 ± 0.004 Å
• α: 90°
• β: 92.21 ± 0.03°
• γ: 90°
• Cell volume: 939.5 ± 0.8 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 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
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.059
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No