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Information card for entry 7151680
Preview
| Coordinates | 7151680.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H16 Cl N O4 |
|---|---|
| Calculated formula | C19 H16 Cl N O4 |
| SMILES | c1(ccccc1[C@@H]([C@H](C(=O)C)CN1C(=O)c2ccccc2C1=O)O)Cl.c1(ccccc1[C@H]([C@@H](C(=O)C)CN1C(=O)c2ccccc2C1=O)O)Cl |
| Title of publication | Organocatalytic tandem three-component reaction of aldehyde, alkyl vinyl ketone, and amide: one-pot syntheses of highly functional alkenes. |
| Authors of publication | Wang, De-Wei; Syu, Siang-en; Hung, Yi-Ting; Chen, Pei-yi; Lee, Chia-Jui; Chen, Ko-Wei; Chen, Yu-Jhang; Lin, Wenwei |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2011 |
| Journal volume | 9 |
| Journal issue | 2 |
| Pages of publication | 363 - 366 |
| a | 7.8329 ± 0.0003 Å |
| b | 16.6085 ± 0.0006 Å |
| c | 13.2043 ± 0.0005 Å |
| α | 90° |
| β | 101.014 ± 0.002° |
| γ | 90° |
| Cell volume | 1686.14 ± 0.11 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0586 |
| Residual factor for significantly intense reflections | 0.0411 |
| Weighted residual factors for significantly intense reflections | 0.119 |
| Weighted residual factors for all reflections included in the refinement | 0.1432 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.164 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180302 (current) | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/16. |
7151680.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7151680.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7151680.cif |
| 14984 | 2011-03-12 | ../uploads/cif-deposit/cod/cif Adding structures of 7151676, 7151677, 7151678, 7151679, 7151680 via cif-deposit CGI script. |
7151680.cif |
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