Information card for entry 7151910

Structure parameters

• Formula: C14 H11 N O2
• Calculated formula: C14 H11 N O2
• SMILES: C1CCc2cc3c(c4c2n1c(=O)cc4)cco3
• Title of publication: One-pot synthesis of benzo[f]quinolin-3-ones and benzo[a]phenanthridein-5-ones by the photoanuulation of 6-chloropyridin-2-ones and 3-chloroisoquinolin-1-ones to phenylacetylene.
• Authors of publication: Wang, Ren; Lu, Shen-Ci; Zhang, Yi-Ming; Shi, Zong-Jun; Zhang, Wei
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 16
• Pages of publication: 5802 - 5808
• a: 7.168 ± 0.003 Å
• b: 15.046 ± 0.007 Å
• c: 9.688 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1044.8 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0612
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No