Information card for entry 2206358

Structure parameters

• Chemical name: 4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-hydroxy-1-[2-(2-methyl-4-oxo-3,4,6,7,8,9- hexahydro-2H-pyrido[1,2-a]pyrimidin-3-yl)ethyl]piperidine N-oxide
• Formula: C24 H33 F N4 O6
• Calculated formula: C24 H33 F N4 O6
• SMILES: Fc1ccc2c(onc2C2CCN(=O)(CC2)CCc2c(=O)n3c(nc2C)CCCC3)c1.OC.OO
• Title of publication: Risperidone <i>N</i>-oxide hydrogen peroxide methanol solvate
• Authors of publication: K. Ravikumar; B. Sridhar; S. G. Manjunath; Saji Thomas
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: o2515 - o2517
• a: 37.007 ± 0.004 Å
• b: 7.7558 ± 0.0008 Å
• c: 17.214 ± 0.002 Å
• α: 90°
• β: 105.503 ± 0.002°
• γ: 90°
• Cell volume: 4761 ± 0.9 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0628
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1443
• Weighted residual factors for all reflections included in the refinement: 0.1564
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes