Information card for entry 2207823

Structure parameters

• Chemical name: 2-Formylquinolin-8-yl acetate
• Formula: C12 H9 N O3
• Calculated formula: C12 H9 N O3
• SMILES: O=Cc1nc2c(cc1)cccc2OC(=O)C
• Title of publication: 2-Formylquinolin-8-yl acetate
• Authors of publication: Wang, Wen-Hua; You, Zhong-Lu; Li, Xiao-Feng; Liu, Wei-Sheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: o58 - o59
• a: 19.743 ± 0.003 Å
• b: 7.863 ± 0.001 Å
• c: 14.771 ± 0.002 Å
• α: 90°
• β: 111.66 ± 0.02°
• γ: 90°
• Cell volume: 2131.1 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0963
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1336
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes