Information card for entry 2013728

Structure parameters

• Chemical name: 6-Methoxypurine trihydrate
• Formula: C6 H12 N4 O4
• Calculated formula: C6 H12 N4 O4
• Title of publication: Two hydrates of 6-methoxypurine
• Authors of publication: Natalya Fridman; Moshe Kapon; Menahem Kaftory
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 1
• Pages of publication: o44 - o46
• a: 6.837 ± 0.001 Å
• b: 7.819 ± 0.002 Å
• c: 10.281 ± 0.002 Å
• α: 70.13 ± 0.02°
• β: 75.49 ± 0.02°
• γ: 80.29 ± 0.02°
• Cell volume: 498.29 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0536
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.0938
• Goodness-of-fit parameter for all reflections included in the refinement: 0.92
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes