Information card for entry 2000535

Structure parameters

• Formula: C24 H25 F N4 O2
• Calculated formula: C24 H25 F N4 O2
• Title of publication: Structure of the antipsychotic drug 3-{2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl}-2,9-dimethyl-4<i>H</i>-pyrido[1,2-<i>a</i>]pyrimidin-4-one (ocaperidone)
• Authors of publication: Jottier, W. I.; De Winter, H. L.; Peeters, O. M.; Blaton, N. M.; De Ranter, C. J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 10
• Pages of publication: 1827 - 1830
• a: 19.95 ± 0.01 Å
• b: 9.782 ± 0.005 Å
• c: 22.07 ± 0.01 Å
• α: 90°
• β: 102.82 ± 0.03°
• γ: 90°
• Cell volume: 4200 ± 4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for significantly intense reflections: 0.075
• Goodness-of-fit parameter for significantly intense reflections: 2.71
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: Mo-Kalpha
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No