Information card for entry 4035369

Structure parameters

• Formula: C14 H14 N2 O
• Calculated formula: C14 H14 N2 O
• SMILES: O=c1n2ccccc2c(c(c1)CCCC)C#N
• 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: 7.1399 ± 0.0004 Å
• b: 7.7406 ± 0.0004 Å
• c: 12.1414 ± 0.0007 Å
• α: 97.466 ± 0.004°
• β: 102.778 ± 0.005°
• γ: 115.741 ± 0.005°
• Cell volume: 569.62 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0794
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.2255
• Weighted residual factors for all reflections included in the refinement: 0.241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No