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Information card for entry 7218398
Preview
| Coordinates | 7218398.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H18 Cl N O4 |
|---|---|
| Calculated formula | C24 H18 Cl N O4 |
| SMILES | Clc1ccc(\C(NCc2ccc(OC)cc2)=C2/C(=O)Oc3c(C2=O)cccc3)cc1 |
| 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 | 10.6004 ± 0.0018 Å |
| b | 13.375 ± 0.002 Å |
| c | 16.069 ± 0.002 Å |
| α | 82.836 ± 0.004° |
| β | 71.805 ± 0.005° |
| γ | 89.343 ± 0.005° |
| Cell volume | 2146.5 ± 0.6 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1751 |
| Residual factor for significantly intense reflections | 0.0778 |
| Weighted residual factors for significantly intense reflections | 0.1928 |
| Weighted residual factors for all reflections included in the refinement | 0.2233 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.964 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180514 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/83. |
7218398.cif |
| 131086 | 2015-02-04 | cif/ Updating files of 7218396, 7218397, 7218398 Original log message: Adding full bibliography for 7218396--7218398.cif. |
7218398.cif |
| 125130 | 2014-10-09 | cif/ Adding structures of 7218396, 7218397, 7218398 via cif-deposit CGI script. |
7218398.cif |
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Users of the data should acknowledge the original authors of the
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