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Information card for entry 7714457
Preview
| Coordinates | 7714457.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H52 Ga N3 O2 S |
|---|---|
| Calculated formula | C38 H52 Ga N3 O2 S |
| SMILES | [Ga]1(N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)(C(=O)Nc1ccccc1)CS(=O)C |
| Title of publication | 1,3-C-H bond activation on a transient gallium(I)/isocyanate adduct. |
| Authors of publication | Puthiyaveetil, Sruthi S.; Kassymbek, Aishabibi; Dmitrienko, Anton; Pilkington, Melanie; Nikonov, Georgii I. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2023 |
| a | 12.1241 ± 0.0007 Å |
| b | 19.7684 ± 0.0012 Å |
| c | 15.2234 ± 0.0009 Å |
| α | 90° |
| β | 94.397 ± 0.002° |
| γ | 90° |
| Cell volume | 3637.9 ± 0.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0651 |
| Residual factor for significantly intense reflections | 0.0484 |
| Weighted residual factors for significantly intense reflections | 0.096 |
| Weighted residual factors for all reflections included in the refinement | 0.1038 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287571 (current) | 2023-11-14 | cif/ Adding structures of 7714455, 7714456, 7714457 via cif-deposit CGI script. |
7714457.cif |
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