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Information card for entry 4515845
Preview
| Coordinates | 4515845.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H30 F3 Ir N2 O5 S |
|---|---|
| Calculated formula | C29 H30 F3 Ir N2 O5 S |
| Title of publication | Delineating Physical Organic Parameters in Site-Selective C-H Functionalization of Indoles. |
| Authors of publication | Kim, Youyoung; Park, Yoonsu; Chang, Sukbok |
| Journal of publication | ACS central science |
| Year of publication | 2018 |
| Journal volume | 4 |
| Journal issue | 6 |
| Pages of publication | 768 - 775 |
| a | 9.6211 ± 0.0003 Å |
| b | 10.9933 ± 0.0004 Å |
| c | 14.575 ± 0.0004 Å |
| α | 81.373 ± 0.002° |
| β | 79.858 ± 0.002° |
| γ | 67.962 ± 0.002° |
| Cell volume | 1400.64 ± 0.08 Å3 |
| Cell temperature | 426 ± 2 K |
| Ambient diffraction temperature | 426 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0263 |
| Residual factor for significantly intense reflections | 0.0232 |
| Weighted residual factors for significantly intense reflections | 0.0574 |
| Weighted residual factors for all reflections included in the refinement | 0.0597 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.122 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 225945 (current) | 2019-11-10 | cif/ Adding structures of 4515845 via cif-deposit CGI script. |
4515845.cif |
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Users of the data should acknowledge the original authors of the
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