Information card for entry 8102364

Structure parameters

• Formula: C60 H92 N30 O
• Calculated formula: C60 H92 N30 O
• Title of publication: Crystal structure of 2-amino-4,6-dimethylpyrimidine hydrate, (C6H9N3)10 · H2O
• Authors of publication: Cui-Hua Lin; Huan-Mei Guo; Fang-Fang Jian
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2008
• Journal volume: 223
• Journal issue: 4
• Pages of publication: 511
• a: 11.0548 ± 0.0011 Å
• b: 11.4912 ± 0.0011 Å
• c: 26.861 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3412.2 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0696
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1583
• Weighted residual factors for all reflections included in the refinement: 0.1712
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No