Information card for entry 4513390

Structure parameters

• Formula: C24 H23 N7 O3
• Calculated formula: C24 H23 N7 O3
• SMILES: c1(nc2c(c(ccc2)C(=O)[O-])n1Cc1ccc(cc1)c1c(cccc1)c1nnn[nH]1)OCC.[NH4+]
• Title of publication: Three Candesartan Salts with Enhanced Oral Bioavailability
• Authors of publication: Chi, Yingnan; Xu, Wenting; Yang, Yan; Yang, Zhichao; Lv, Hongjin; Yang, Song; Lin, Zhengguo; Li, Jikun; Gu, Jingkai; Hill, Craig L.; Hu, Changwen
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 8
• Pages of publication: 3707
• a: 31.235 ± 0.009 Å
• b: 11.605 ± 0.002 Å
• c: 13.897 ± 0.003 Å
• α: 90°
• β: 115.15 ± 0.03°
• γ: 90°
• Cell volume: 4560 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0964
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.2072
• Weighted residual factors for all reflections included in the refinement: 0.2327
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No