Information card for entry 2222496

Structure parameters

• Chemical name: 4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-[2-(2-methyl-4-oxo-6,7,8,9-tetrahydro- 4<i>H</i>-pyrido[1,2-<i>a</i>]pyrimidin-3-yl)ethyl]piperidinium nitrate
• Formula: C23 H28 F N5 O5
• Calculated formula: C23 H28 F N5 O5
• Title of publication: 4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-[2-(2-methyl-4-oxo-6,7,8,9-tetrahydro-4<i>H</i>-pyrido[1,2-<i>a</i>]pyrimidin-3-yl)ethyl]piperidinium nitrate
• Authors of publication: Sun, Yu; Zhang, Huai-Hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: o1647
• a: 8.1655 ± 0.0016 Å
• b: 21.866 ± 0.004 Å
• c: 12.635 ± 0.003 Å
• α: 90°
• β: 91.94 ± 0.03°
• γ: 90°
• Cell volume: 2254.6 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1032
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1574
• Weighted residual factors for all reflections included in the refinement: 0.1762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes