Information card for entry 4508145

Structure parameters

• Formula: C30 H33 Cl2 N4 O8
• Calculated formula: C30 H33 Cl2 N4 O8
• Title of publication: Ketoconazole Salt and Co-crystals with Enhanced Aqueous Solubility
• Authors of publication: Martin, Flavia A.; Pop, Mihaela M.; Borodi, Gheorghe; Filip, Xenia; Kacso, Irina
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 10
• Pages of publication: 4295
• a: 10.5261 ± 0.0008 Å
• b: 11.7297 ± 0.0009 Å
• c: 13.458 ± 0.0011 Å
• α: 95.287 ± 0.006°
• β: 99.302 ± 0.007°
• γ: 104.429 ± 0.007°
• Cell volume: 1572.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0931
• Residual factor for significantly intense reflections: 0.0749
• Weighted residual factors for significantly intense reflections: 0.2136
• Weighted residual factors for all reflections included in the refinement: 0.2341
• Goodness-of-fit parameter for all reflections included in the refinement: 1.437
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No