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Information card for entry 4088642
Preview
| Coordinates | 4088642.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H30 Fe O |
|---|---|
| Calculated formula | C22 H30 Fe O |
| SMILES | [Fe]12345678([c]9([c]1([c]2([c]3([c]49C)C)C)C)/C=C/C=O)[c]1([c]5([c]6([c]7([c]81C)C)C)C)C |
| Title of publication | Combined Furan C‒H Activation and Furyl Ring-Opening by an Iron(II) Complex |
| Authors of publication | Taylor, Kathleen H.; Kalman, Steven E.; Gunnoe, T. Brent; Sabat, Michal |
| Journal of publication | Organometallics |
| Year of publication | 2016 |
| Journal volume | 35 |
| Journal issue | 11 |
| Pages of publication | 1978 |
| a | 8.8972 ± 0.0005 Å |
| b | 30.4518 ± 0.0016 Å |
| c | 14.7845 ± 0.0008 Å |
| α | 90° |
| β | 103.001 ± 0.001° |
| γ | 90° |
| Cell volume | 3903 ± 0.4 Å3 |
| Cell temperature | 206 ± 2 K |
| Ambient diffraction temperature | 206 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0614 |
| Residual factor for significantly intense reflections | 0.0492 |
| Weighted residual factors for significantly intense reflections | 0.1177 |
| Weighted residual factors for all reflections included in the refinement | 0.1268 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.15 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237743 (current) | 2019-11-24 | cif/ Adding structures of 4088642 via cif-deposit CGI script. |
4088642.cif |
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Users of the data should acknowledge the original authors of the
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