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Information card for entry 7218397
Preview
Coordinates | 7218397.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H21 N O4 |
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Calculated formula | C18 H21 N O4 |
SMILES | c1cc(C)ccc1C(NCC(=O)O)=C1C(=O)CC(C)(C)CC1=O |
Title of publication | Three-component reaction between substituted β-nitrostyrenes, β-dicarbonyl compounds and amines: diversity-oriented synthesis of novel β-enaminones |
Authors of publication | Ye, Weijian; Li, Yan; Zhou, Lanxiang; Liu, Juanjuan; Wang, Cunde |
Journal of publication | Green Chem. |
Year of publication | 2015 |
Journal volume | 17 |
Journal issue | 1 |
Pages of publication | 188 |
a | 10.0101 ± 0.001 Å |
b | 10.7765 ± 0.001 Å |
c | 15.5711 ± 0.0014 Å |
α | 90° |
β | 93.9 ± 0.003° |
γ | 90° |
Cell volume | 1675.8 ± 0.3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 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 | 0.0771 |
Residual factor for significantly intense reflections | 0.0551 |
Weighted residual factors for significantly intense reflections | 0.132 |
Weighted residual factors for all reflections included in the refinement | 0.1459 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7218397.html
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