Information card for entry 7226720

Structure parameters

• Formula: C26 H25 N7 O5
• Calculated formula: C26 H25 N7 O5
• SMILES: c1(c(cccc1)N(=O)=O)N/N=C1/C(=C(C(=O)N(C1=O)CCN(C(=O)c1ccccc1)CC)C#N)C.C(#N)C
• Title of publication: N-acylamino-pyridine-2,6-dione based heterocyclic dyes and their oxidative ring-degradation under alkaline condition
• Authors of publication: Geng, Jiao; Xu, Dan; Zhao, Xiao-Lei; Feng, Ya-Nan; Qian, Hui-Fen; Dai, Yuan; Huang, Wei
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 9.1414 ± 0.0017 Å
• b: 17.714 ± 0.003 Å
• c: 17.405 ± 0.003 Å
• α: 90°
• β: 114.274 ± 0.008°
• γ: 90°
• Cell volume: 2569.2 ± 0.8 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0892
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.1606
• Weighted residual factors for all reflections included in the refinement: 0.1823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No