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Information card for entry 7151821
Preview
| Coordinates | 7151821.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H22 O4 |
|---|---|
| Calculated formula | C21 H22 O4 |
| SMILES | O=C(OC)C1(O)Oc2c(C(=C1)c1ccccc1)cc(cc2)C(C)(C)C |
| Title of publication | Cascade reaction of β,γ-unsaturated α-ketoesters with phenols in trityl chloride/TFA system. Highly selective synthesis of 4-aryl-2H-chromenes and their applications. |
| Authors of publication | Wu, Yan-Chao; Li, Hui-Jing; Liu, Li; Liu, Zhe; Wang, Dong; Chen, Yong-Jun |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2011 |
| Journal volume | 9 |
| Journal issue | 8 |
| Pages of publication | 2868 - 2877 |
| a | 14.3688 ± 0.0008 Å |
| b | 7.7163 ± 0.0004 Å |
| c | 18.1469 ± 0.0011 Å |
| α | 90° |
| β | 111.567 ± 0.002° |
| γ | 90° |
| Cell volume | 1871.15 ± 0.18 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.1399 |
| Residual factor for significantly intense reflections | 0.0521 |
| Weighted residual factors for significantly intense reflections | 0.1209 |
| Weighted residual factors for all reflections included in the refinement | 0.1338 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.673 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180304 (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 7/15/18. |
7151821.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7151821.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7151821.cif |
| 21281 | 2011-06-22 | ../uploads/cif-deposit/cod/cif Adding structures of 7151820, 7151821, 7151822 via cif-deposit CGI script. |
7151821.cif |
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Users of the data should acknowledge the original authors of the
structural data.