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Information card for entry 7235248
Preview
| Coordinates | 7235248.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18 H15 N O2 |
|---|---|
| Calculated formula | C18 H15 N O2 |
| Title of publication | Visible light-promoted copper catalyzed regioselective acetamidation of terminal alkynes by arylamines |
| Authors of publication | Pampana, V. Kishore Kumar; Sagadevan, Arunachalam; Ragupathi, Ayyakkannu; Hwang, Kuo Chu |
| Journal of publication | Green Chemistry |
| Year of publication | 2020 |
| Journal volume | 22 |
| Journal issue | 4 |
| Pages of publication | 1164 - 1170 |
| a | 12.2746 ± 0.0008 Å |
| b | 9.2499 ± 0.0006 Å |
| c | 14.751 ± 0.0009 Å |
| α | 90° |
| β | 100.612 ± 0.002° |
| γ | 90° |
| Cell volume | 1646.17 ± 0.18 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0781 |
| Residual factor for significantly intense reflections | 0.0592 |
| Weighted residual factors for significantly intense reflections | 0.1182 |
| Weighted residual factors for all reflections included in the refinement | 0.1274 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7235248.cif |
| 257588 | 2020-10-06 | cif/ Updating files of 7235247, 7235248, 7235249 Original log message: Adding full bibliography for 7235247--7235249.cif. |
7235248.cif |
| 248992 | 2020-03-05 | cif/ Updating files of 7235247, 7235248, 7235249 Original log message: Adding full bibliography for 7235247--7235249.cif. |
7235248.cif |
| 231190 | 2019-11-22 | cif/ Adding structures of 7235247, 7235248, 7235249 via cif-deposit CGI script. |
7235248.cif |
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Users of the data should acknowledge the original authors of the
structural data.