Information card for entry 2013727

Structure parameters

• Chemical name: 6-Methoxypurine hemihydrate
• Formula: C6 H7 N4 O1.5
• Calculated formula: C6 H6.75 N4 O1.5
• 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: 3.898 ± 0.001 Å
• b: 11.966 ± 0.002 Å
• c: 15.945 ± 0.003 Å
• α: 79.08 ± 0.02°
• β: 83.54 ± 0.02°
• γ: 87.09 ± 0.02°
• Cell volume: 725.3 ± 0.3 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: 0.0762
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1162
• Weighted residual factors for all reflections included in the refinement: 0.1247
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes