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Information card for entry 3000199
Preview
No preview available: structure is on hold until 2018-10-07
| Coordinates | Coordinates are not available: structure is on hold until 2018-10-07 |
|---|
| Formula | C23 H20 Fe O |
|---|---|
| Title of publication | Trapping <i>para</i>-Quinone Methide Intermediates with Ferrocene: Synthesis and Preliminary Biological Evaluation of New Phenol-Ferrocene Conjugates |
| Authors of publication | Silvia González-Pelayo; Enol López H.; Javier Borge; Noemí de-los-Santos-Álvarez; Luis A. López |
| Journal of publication | To be published in Molecules |
| a | 15.662 ± 0.0012 Å |
| b | 6.0219 ± 0.0003 Å |
| c | 18.7859 ± 0.0011 Å |
| α | 90° |
| β | 96.99 ± 0.006° |
| γ | 90° |
| Cell volume | 1758.62 ± 0.19 Å3 |
| Cell temperature | 299 ± 2 K |
| Ambient diffraction temperature | 299 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0899 |
| Residual factor for significantly intense reflections | 0.0789 |
| Weighted residual factors for significantly intense reflections | 0.2466 |
| Weighted residual factors for all reflections included in the refinement | 0.2554 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.118 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | No |
| Has disorder | No |
| Has Fobs | No |
Version history
Not available for prepublication material.
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Users of the data should acknowledge the original authors of the
structural data.