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Information card for entry 1544700
Preview
| Coordinates | 1544700.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H22 N2 O4 S |
|---|---|
| Calculated formula | C21 H22 N2 O4 S |
| SMILES | S(=O)(=O)(N1CC(=CCC1)C(=O)c1ccccc1NC(=O)C)c1ccc(C)cc1 |
| Title of publication | Controllable O-Nucleometalation Cyclization Strategy: Access to Divergent Ring-Functionalized Molecules. |
| Authors of publication | Zheng, Jia; Li, Zun; Wu, Wanqing; Jiang, Huanfeng |
| Journal of publication | Organic letters |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 24 |
| Pages of publication | 6232 - 6235 |
| a | 8.3281 ± 0.0017 Å |
| b | 10.784 ± 0.002 Å |
| c | 12.649 ± 0.003 Å |
| α | 70.74 ± 0.03° |
| β | 73.72 ± 0.03° |
| γ | 67.38 ± 0.03° |
| Cell volume | 974.5 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0731 |
| Residual factor for significantly intense reflections | 0.0428 |
| Weighted residual factors for significantly intense reflections | 0.1331 |
| Weighted residual factors for all reflections included in the refinement | 0.1831 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.148 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 189953 (current) | 2017-01-06 | cif/ Updating files of 1544698, 1544699, 1544700 Original log message: Adding full bibliography for 1544698--1544700.cif. |
1544700.cif |
| 188787 | 2016-12-01 | cif/ Adding structures of 1544700 via cif-deposit CGI script. |
1544700.cif |
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Users of the data should acknowledge the original authors of the
structural data.