Information card for entry 4511904

Structure parameters

• Formula: C23 H29 Cl F N O9
• Calculated formula: C23 H29 Cl F N O9
• Title of publication: Stable Crystalline Salts of Haloperidol: A Highly Water-Soluble Mesylate Salt
• Authors of publication: Rajput, Lalit
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 10
• Pages of publication: 5196
• a: 10.9398 ± 0.0017 Å
• b: 11.0705 ± 0.0017 Å
• c: 11.7353 ± 0.0018 Å
• α: 106.846 ± 0.007°
• β: 100.623 ± 0.007°
• γ: 102.977 ± 0.007°
• Cell volume: 1277.2 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1165
• Residual factor for significantly intense reflections: 0.098
• Weighted residual factors for significantly intense reflections: 0.2288
• Weighted residual factors for all reflections included in the refinement: 0.238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No