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Information card for entry 4029434
Preview
| Coordinates | 4029434.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H23 N3 O4 |
|---|---|
| Calculated formula | C27 H23 N3 O4 |
| SMILES | N1(c2c([C@@]3(N(C(=O)[C@@H](NC(=O)c4ccccc4)[C@@H]3c3ccccc3)C=O)C1=O)cccc2)CC.N1(c2c([C@]3(N(C(=O)[C@H](NC(=O)c4ccccc4)[C@H]3c3ccccc3)C=O)C1=O)cccc2)CC |
| Title of publication | Tandem Michael addition-ring transformation reactions of 3-hydroxyoxindoles/3-aminooxindoles with olefinic azlactones: direct access to structurally diverse spirocyclic oxindoles. |
| Authors of publication | Cui, Bao-Dong; Zuo, Jian; Zhao, Jian-Qiang; Zhou, Ming-Qiang; Wu, Zhi-Jun; Zhang, Xiao-Mei; Yuan, Wei-Cheng |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2014 |
| Journal volume | 79 |
| Journal issue | 11 |
| Pages of publication | 5305 - 5314 |
| a | 9.4852 ± 0.0001 Å |
| b | 16.6744 ± 0.0002 Å |
| c | 15.2017 ± 0.0002 Å |
| α | 90° |
| β | 94.942 ± 0.001° |
| γ | 90° |
| Cell volume | 2395.36 ± 0.05 Å3 |
| Cell temperature | 290 ± 2 K |
| Ambient diffraction temperature | 290 ± 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 | 0.0497 |
| Residual factor for significantly intense reflections | 0.0434 |
| Weighted residual factors for significantly intense reflections | 0.1295 |
| Weighted residual factors for all reflections included in the refinement | 0.1372 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178473 (current) | 2016-03-21 | cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/94. |
4029434.cif |
| 119207 | 2014-07-05 | cif/ Updating files of 4029434, 4029435 Original log message: Adding full bibliography for 4029434--4029435.cif. |
4029434.cif |
| 113337 | 2014-05-11 | cif/ Adding structures of 4029434 via cif-deposit CGI script. |
4029434.cif |
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Users of the data should acknowledge the original authors of the
structural data.