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Information card for entry 4035369
Preview
Coordinates | 4035369.cif |
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Original paper (by DOI) | HTML |
Formula | C14 H14 N2 O |
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Calculated formula | C14 H14 N2 O |
SMILES | O=c1n2ccccc2c(c(c1)CCCC)C#N |
Title of publication | From CO<sub>2</sub> to 4 H-Quinolizin-4-ones: A One-Pot Multicomponent Approach via Ag<sub>2</sub>O/Cs<sub>2</sub>CO<sub>3</sub> 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 Å3 |
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 |
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