Information card for entry 7115581

Structure parameters

• Formula: C24 H17 N5 O10
• Calculated formula: C24 H17 N5 O10
• SMILES: c1(N(=O)=O)cc(C)ccc1/C=C/c1c(N(=O)=O)cc(N(=O)=O)c(/C=C/c2c(cc(C)cc2)N(=O)=O)c1N(=O)=O
• Title of publication: Highly double selective nitration of nitrostilbenes over zeolite
• Authors of publication: Jun-Hui Xu; Jian-Ping Wei; Zheng Hao; Qing-Guo Ma; Xin-Hua Peng
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 10710
• a: 24.48 ± 0.02 Å
• b: 8.379 ± 0.006 Å
• c: 11.878 ± 0.009 Å
• α: 90°
• β: 106.275 ± 0.014°
• γ: 90°
• Cell volume: 2339 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1074
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1466
• Weighted residual factors for all reflections included in the refinement: 0.1651
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No