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Information card for entry 4088693
Preview
| Coordinates | 4088693.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H13 N O |
|---|---|
| Calculated formula | C10 H13 N O |
| SMILES | O/N=C(\C(C)C)c1ccccc1 |
| Title of publication | C‒H Activation Induced by Oxidative Addition of N‒O Bonds in Oxime Esters: Formation of Rhodacycles and Cycloaddition with Alkynes |
| Authors of publication | Shimbayashi, Takuya; Okamoto, Kazuhiro; Ohe, Kouichi |
| Journal of publication | Organometallics |
| Year of publication | 2016 |
| Journal volume | 35 |
| Journal issue | 11 |
| Pages of publication | 2026 |
| a | 18.2136 ± 0.0014 Å |
| b | 18.2136 ± 0.0014 Å |
| c | 11.7714 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3905 ± 0.6 Å3 |
| Cell temperature | 143 K |
| Ambient diffraction temperature | 143 K |
| Number of distinct elements | 4 |
| Space group number | 88 |
| Hermann-Mauguin space group symbol | I 41/a :2 |
| Hall space group symbol | -I 4ad |
| Residual factor for all reflections | 0.0621 |
| Residual factor for significantly intense reflections | 0.0509 |
| Weighted residual factors for significantly intense reflections | 0.1314 |
| Weighted residual factors for all reflections included in the refinement | 0.1392 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.094 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237772 (current) | 2019-11-24 | cif/ Adding structures of 4088693, 4088694, 4088695, 4088696 via cif-deposit CGI script. |
4088693.cif |
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Users of the data should acknowledge the original authors of the
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