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Information card for entry 1503169
Preview
| Coordinates | 1503169.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C23 H19 N O2 |
|---|---|
| Calculated formula | C23 H19 N O2 |
| SMILES | O=C1N(C(O)(c2ccccc2)C=C1c1ccccc1)Cc1ccccc1 |
| Title of publication | Highly efficient and expedient synthesis of 5-hydroxy-1H-pyrrol-2-(5H)-ones from FeCl3-catalyzed tandem intramolecular enaminic addition of tertiary enamides to ketones and 1,3-hydroxy rearrangement. |
| Authors of publication | Yang, Luo; Lei, Chuan-Hu; Wang, De-Xian; Huang, Zhi-Tang; Wang, Mei-Xiang |
| Journal of publication | Organic letters |
| Year of publication | 2010 |
| Journal volume | 12 |
| Journal issue | 17 |
| Pages of publication | 3918 - 3921 |
| a | 8.0436 ± 0.0016 Å |
| b | 10.604 ± 0.002 Å |
| c | 11.289 ± 0.002 Å |
| α | 110.89 ± 0.03° |
| β | 95.92 ± 0.03° |
| γ | 99.62 ± 0.03° |
| Cell volume | 873 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.072 |
| Residual factor for significantly intense reflections | 0.056 |
| Weighted residual factors for significantly intense reflections | 0.1337 |
| Weighted residual factors for all reflections included in the refinement | 0.1451 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.359 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201954 (current) | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1503169.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1503169.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1503169.cif |
| 37056 | 2012-03-01 | ../uploads/cif-deposit/cod/cif Adding structures of 1503169 via cif-deposit CGI script. |
1503169.cif |
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Users of the data should acknowledge the original authors of the
structural data.