Information card for entry 7217233

Structure parameters

• Formula: C13 H11 N O4
• Calculated formula: C13 H11 N O4
• SMILES: c1(ccccc1C=C1C(=O)CCCC1=O)N(=O)=O
• Title of publication: Iron/Acetic acid Mediated Intermolecular Tandem C-C and C-N Bond Formation: An Easy Access to Acridinone and Quinoline Derivatives
• Authors of publication: Yao, Ching-Fa; R. R, Rajawinslin.; Gawande, Sachin D.; Kavala, Veerababurao; Huang, Yi-Hsiang; Kuo, Chun-Wei; Kuo, Ting-Shen; Chen, Mei-Ling; He, Chiu-Hui
• Journal of publication: RSC Advances
• Year of publication: 2014
• a: 6.6756 ± 0.0002 Å
• b: 8.2693 ± 0.0003 Å
• c: 20.4546 ± 0.0007 Å
• α: 90°
• β: 90.578 ± 0.002°
• γ: 90°
• Cell volume: 1129.09 ± 0.07 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0514
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1212
• Weighted residual factors for all reflections included in the refinement: 0.1261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No