Information card for entry 4035366

Structure parameters

• Formula: C16 H9 N O2
• Calculated formula: C16 H9 N O2
• SMILES: n12ccccc1c1C(=O)c3ccccc3c1cc2=O
• Title of publication: From CO₂ to 4 H-Quinolizin-4-ones: A One-Pot Multicomponent Approach via Ag₂O/Cs₂CO₃ Orthogonal Tandem Catalysis.
• Authors of publication: Dong, Chao-Chen; Xiang, Jun-Feng; Xu, Li-Jin; Gong, Han-Yuan
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 16
• Pages of publication: 9561 - 9567
• a: 7.3673 ± 0.0015 Å
• b: 7.5802 ± 0.0015 Å
• c: 19.657 ± 0.004 Å
• α: 90°
• β: 95.16 ± 0.03°
• γ: 90°
• Cell volume: 1093.3 ± 0.4 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No