Information card for entry 2236243

Structure parameters

• Chemical name: 3-{2-[4-(6-Fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl}-9-hydroxy-2- methyl-1,6,7,8,9,9a-hexahydropyrido[1,2-<i>a</i>]pyrimidin-4-one nitrate
• Formula: C23 H29 F N5 O6
• Calculated formula: C23 H29 F N5 O6
• Title of publication: Paliperidonium nitrate
• Authors of publication: Ge, Jingshui; Luo, Yang-Hui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: o2932
• a: 8.3642 ± 0.0008 Å
• b: 22.032 ± 0.002 Å
• c: 12.4485 ± 0.0013 Å
• α: 90°
• β: 92.311 ± 0.003°
• γ: 90°
• Cell volume: 2292.1 ± 0.4 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: 0.1216
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.1535
• Weighted residual factors for all reflections included in the refinement: 0.1779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes