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Information card for entry 1542952
Preview
| Coordinates | 1542952.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H22 N2 O3 S |
|---|---|
| Calculated formula | C20 H22 N2 O3 S |
| Title of publication | A Direct Access to 7-Aminoindoles via Iridium-Catalyzed Mild C-H Amidation of N-Pivaloylindoles with Organic Azides. |
| Authors of publication | Kim, Youyoung; Park, Juhyeon; Chang, Sukbok |
| Journal of publication | Organic letters |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 8 |
| Pages of publication | 1892 - 1895 |
| a | 13.5634 ± 0.0004 Å |
| b | 9.094 ± 0.0003 Å |
| c | 15.4845 ± 0.0004 Å |
| α | 90° |
| β | 100.494 ± 0.0011° |
| γ | 90° |
| Cell volume | 1878 ± 0.1 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0616 |
| Residual factor for significantly intense reflections | 0.0429 |
| Weighted residual factors for significantly intense reflections | 0.1096 |
| Weighted residual factors for all reflections included in the refinement | 0.1202 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1542952.cif |
| 182523 | 2016-05-04 | cif/ Updating files of 1542952 Original log message: Adding full bibliography for 1542952.cif. |
1542952.cif |
| 180591 | 2016-03-30 | cif/ Adding structures of 1542952 via cif-deposit CGI script. |
1542952.cif |
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Users of the data should acknowledge the original authors of the
structural data.