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Information card for entry 4029435
Preview
| Coordinates | 4029435.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C23 H18 N2 O4 S |
|---|---|
| Calculated formula | C23 H18 N2 O4 S |
| SMILES | s1cccc1[C@H]1[C@@]2(OC(=O)[C@@H]1NC(=O)c1ccccc1)c1c(N(C2=O)C)cccc1.s1cccc1[C@@H]1[C@]2(OC(=O)[C@H]1NC(=O)c1ccccc1)c1c(N(C2=O)C)cccc1 |
| 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 | 10.2604 ± 0.0004 Å |
| b | 15.8897 ± 0.0005 Å |
| c | 13.009 ± 0.0006 Å |
| α | 90° |
| β | 108.475 ± 0.004° |
| γ | 90° |
| Cell volume | 2011.61 ± 0.14 Å3 |
| Cell temperature | 290 ± 2 K |
| Ambient diffraction temperature | 290 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0769 |
| Residual factor for significantly intense reflections | 0.0538 |
| Weighted residual factors for significantly intense reflections | 0.1277 |
| Weighted residual factors for all reflections included in the refinement | 0.1423 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301812 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 4/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
4029435.cif |
| 178473 | 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. |
4029435.cif |
| 119207 | 2014-07-05 | cif/ Updating files of 4029434, 4029435 Original log message: Adding full bibliography for 4029434--4029435.cif. |
4029435.cif |
| 113338 | 2014-05-11 | cif/ Adding structures of 4029435 via cif-deposit CGI script. |
4029435.cif |
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