Information card for entry 7120782

Structure parameters

• Formula: C23 H24 N4 O7
• Calculated formula: C23 H24 N4 O7
• SMILES: O(C(=O)C1=C(NC(=C(C1c1c(N(=O)=O)cccc1)C(=O)OC)C)C)C.O=C(N)c1ccncc1
• Title of publication: Taming photo-induced oxidation degradation of dihydropyridine drugs through cocrystallization
• Authors of publication: Yu, Qihui; Yan, zhicheng; Bao, junjie; Wang, Jian-Rong; Mei, Xuefeng
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 7.9427 ± 0.0016 Å
• b: 12.732 ± 0.003 Å
• c: 22.382 ± 0.004 Å
• α: 90°
• β: 90.08 ± 0.005°
• γ: 90°
• Cell volume: 2263.4 ± 0.8 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1188
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1563
• Weighted residual factors for all reflections included in the refinement: 0.2
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No