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Information card for entry 1547237
Preview
| Coordinates | 1547237.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H22 Br Cl Co N O3 |
|---|---|
| Calculated formula | C19 H22 Br Cl Co N O3 |
| SMILES | Brc1ccc2C(=O)N([Co]3456(c2c1)(C#[O])[c]1([c]6([c]5([c]4([c]31C)C)C)C)C)Cl.OC |
| Title of publication | Direct Access to Cobaltacycles via C-H Activation: N-Chloroamide-Enabled Room-Temperature Synthesis of Heterocycles. |
| Authors of publication | Yu, Xiaolong; Chen, Kehao; Guo, Shan; Shi, Pengfei; Song, Chao; Zhu, Jin |
| Journal of publication | Organic letters |
| Year of publication | 2017 |
| Journal volume | 19 |
| Journal issue | 19 |
| Pages of publication | 5348 - 5351 |
| a | 8.3729 ± 0.0002 Å |
| b | 18.1458 ± 0.0004 Å |
| c | 14.1298 ± 0.0003 Å |
| α | 90° |
| β | 113.125 ± 0.001° |
| γ | 90° |
| Cell volume | 1974.29 ± 0.08 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0293 |
| Residual factor for significantly intense reflections | 0.0285 |
| Weighted residual factors for significantly intense reflections | 0.0712 |
| Weighted residual factors for all reflections included in the refinement | 0.0718 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288040 (current) | 2023-12-05 | cif/ Moved chemical name and issue description which was incorrectly assigned to entry 1547237 to the appropriate entry 7126633. |
1547237.cif |
| 288038 | 2023-12-05 | cif/1/54/72/ Added the '_chemical_name_systematic' data item and marked the entry as having errors. |
1547237.cif |
| 202786 | 2017-11-07 | cif/ Updating files of 1547236, 1547237 Original log message: Adding full bibliography for 1547236--1547237.cif. |
1547237.cif |
| 201048 | 2017-09-20 | cif/ Adding structures of 1547237 via cif-deposit CGI script. |
1547237.cif |
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