Information card for entry 7217232

Structure parameters

• Formula: C17 H12 N2 O
• Calculated formula: C17 H12 N2 O
• SMILES: C1(=O)c2cc3ccccc3nc2c2ccccc2N1C
• 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: 18.52 Å
• b: 6.966 Å
• c: 19.193 Å
• α: 90°
• β: 97.37°
• γ: 90°
• Cell volume: 2455.64 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0667
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1205
• Weighted residual factors for all reflections included in the refinement: 0.1545
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No