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Information card for entry 7118209
Preview
| Coordinates | 7118209.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 9 |
|---|---|
| Chemical name | N-(2-(trans-5-ethoxy-3-phenylcyclopent-1-en-1-yl)phenyl)-4-methylbenzenesulfonamide |
| Formula | C26 H27 N O3 S |
| Calculated formula | C26 H27 N O3 S |
| SMILES | S(=O)(=O)(c1ccc(cc1)C)Nc1c(cccc1)C1=C[C@@H](C[C@H]1OCC)c1ccccc1.S(=O)(=O)(c1ccc(cc1)C)Nc1c(cccc1)C1=C[C@H](C[C@@H]1OCC)c1ccccc1 |
| Title of publication | Nazarov cyclization of 1,4-pentadien-3-ols: preparation of cyclopenta[b]indoles and spiro[indene-1,4'-quinoline]s. |
| Authors of publication | Wang, Zhiming; Xu, Xingzhu; Gu, Zhanshou; Feng, Wei; Qian, Houjun; Li, Zhengyi; Sun, Xiaoqiang; Kwon, Ohyun |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2016 |
| Journal volume | 52 |
| Journal issue | 13 |
| Pages of publication | 2811 - 2814 |
| a | 10.4657 ± 0.0014 Å |
| b | 19.751 ± 0.003 Å |
| c | 12.477 ± 0.002 Å |
| α | 90° |
| β | 114.712 ± 0.003° |
| γ | 90° |
| Cell volume | 2342.9 ± 0.6 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.1089 |
| Residual factor for significantly intense reflections | 0.0527 |
| Weighted residual factors for significantly intense reflections | 0.1305 |
| Weighted residual factors for all reflections included in the refinement | 0.157 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 177636 (current) | 2016-03-05 | cif/ Updating files of 7118207, 7118208, 7118209, 7118210, 7118211, 7118212 Original log message: Adding full bibliography for 7118207--7118212.cif. |
7118209.cif |
| 171855 | 2016-01-01 | cif/ Adding structures of 7118207, 7118208, 7118209, 7118210, 7118211, 7118212 via cif-deposit CGI script. |
7118209.cif |
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Users of the data should acknowledge the original authors of the
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