Information card for entry 4507950

Structure parameters

• Formula: C19 H21 N3 O6
• Calculated formula: C19 H21 N3 O6
• SMILES: NC(=O)N.OC(=O)c1c(NC(=O)/C=C/c2cc(OC)c(OC)cc2)cccc1
• Title of publication: Approach of Cocrystallization to Improve the Solubility and Photostability of Tranilast
• Authors of publication: Geng, Na; Chen, Jia-Mei; Li, Zi-Jian; Jiang, Long; Lu, Tong-Bu
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 8
• Pages of publication: 3546
• a: 8.1957 ± 0.0002 Å
• b: 14.9197 ± 0.0003 Å
• c: 16.1595 ± 0.0003 Å
• α: 90°
• β: 104.386 ± 0.002°
• γ: 90°
• Cell volume: 1913.98 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0451
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No