Information card for entry 7217558

Structure parameters

• Formula: C30 H33 F N5 O5
• Calculated formula: C30 H33 F N5 O5
• Title of publication: Dissolution and pharmacokinetic properties of two paliperidone cocrystals with 4-hydroxybenzoic and 4-aminobenzoic acid
• Authors of publication: Zhang, Tingting; Yang, Yan; Zhao, Xiaojun; Jia, Jiangtao; Su, Hongmin; He, Hongming; Gu, Jingkai; Zhu, Guangshan
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 33
• Pages of publication: 7667
• a: 10.9374 ± 0.0007 Å
• b: 12.6162 ± 0.0008 Å
• c: 12.7201 ± 0.0008 Å
• α: 61.396 ± 0.001°
• β: 66.853 ± 0.001°
• γ: 68.137 ± 0.001°
• Cell volume: 1379.57 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0673
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1494
• Weighted residual factors for all reflections included in the refinement: 0.1577
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7216821
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No