Information card for entry 4510741

Structure parameters

• Formula: C26 H35 N5 O4
• Calculated formula: C26 H35 N5 O4
• SMILES: N(C(=O)CCCC)([C@@H](C(C)C)C(=O)O)Cc1ccc(cc1)c1ccccc1c1nnn[nH]1.CCO
• Title of publication: Highly Crystalline Forms of Valsartan with Superior Physicochemical Stability
• Authors of publication: Wang, Jian-Rong; Wang, Xiaojuan; Lu, Liye; Mei, Xuefeng
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 7
• Pages of publication: 3261
• a: 10.2475 ± 0.0003 Å
• b: 12.7244 ± 0.0003 Å
• c: 19.7838 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2579.67 ± 0.12 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0274
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0701
• Weighted residual factors for all reflections included in the refinement: 0.0704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No