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Information card for entry 4514067
Preview
| Coordinates | 4514067.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H29 N3 O4 |
|---|---|
| Calculated formula | C24 H29 N3 O4 |
| Title of publication | Remote C6-Selective Ruthenium-Catalyzed C–H Alkylation of Indole Derivatives via σ-Activation |
| Authors of publication | Leitch, Jamie A.; McMullin, Claire L.; Mahon, Mary F.; Bhonoah, Yunas; Frost, Christopher G. |
| Journal of publication | ACS Catalysis |
| Year of publication | 2017 |
| Pages of publication | 2616 |
| a | 7.2094 ± 0.0003 Å |
| b | 12.0942 ± 0.0005 Å |
| c | 13.0064 ± 0.0006 Å |
| α | 106.921 ± 0.004° |
| β | 90.76 ± 0.004° |
| γ | 95.278 ± 0.003° |
| Cell volume | 1079.4 ± 0.08 Å3 |
| Cell temperature | 150.01 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0426 |
| Residual factor for significantly intense reflections | 0.0383 |
| Weighted residual factors for significantly intense reflections | 0.0977 |
| Weighted residual factors for all reflections included in the refinement | 0.1011 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301843 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/51/ Each referenced PubChem compound corresponds to the full crystal structure. |
4514067.cif |
| 194297 | 2017-03-17 | cif/ Adding structures of 4514066, 4514067 via cif-deposit CGI script. |
4514067.cif |
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Users of the data should acknowledge the original authors of the
structural data.