Information card for entry 2009933

Structure parameters

• Formula: C8 H12 N4 O3
• Calculated formula: C8 H12 N4 O3
• Title of publication: 1,7,9-Trimethyl-2,6-purinedione monohydrate, C~8~H~10~N~4~O~2~.H~2~O
• Authors of publication: Parvez, M.; Ferguson, G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 8
• Pages of publication: 1303 - 1305
• a: 5.357 ± 0.001 Å
• b: 17.759 ± 0.003 Å
• c: 10.251 ± 0.001 Å
• α: 90°
• β: 101.34 ± 0.01°
• γ: 90°
• Cell volume: 956.2 ± 0.3 ų
• Cell temperature: 293 K
• Number of distinct elements: 4
• 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: 0.046
• Weighted residual factors for significantly intense reflections: 0.049
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No