Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2312107
Preview
| Coordinates | 2312107.cif |
|---|---|
| Structure factors | 2312107.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>rac</i>-1-(4-<i>tert</i>-Butylphenyl)-5-ethyl-4-ferrocenyl-\ 5-hydroxy-1<i>H</i>-pyrrol-2(5<i>H</i>)-one |
|---|---|
| Formula | C26 H29 Fe N O2 |
| Calculated formula | C26 H29 Fe N O2 |
| Title of publication | <i>rac</i>-1-(4-<i>tert</i>-Butyl-phen-yl)-5-ethyl-4-ferrocenyl-5-hy-droxy-1<i>H</i>-pyrrol-2(5<i>H</i>)-one. |
| Authors of publication | Biletzki, Tobias; Görls, Helmar; Imhof, Wolfgang |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | Pt 4 |
| Pages of publication | 264 - 266 |
| a | 15.7256 ± 0.0005 Å |
| b | 7.0155 ± 0.0002 Å |
| c | 20.0725 ± 0.0006 Å |
| α | 90° |
| β | 101.242 ± 0.002° |
| γ | 90° |
| Cell volume | 2171.97 ± 0.11 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1219 |
| Residual factor for significantly intense reflections | 0.0732 |
| Weighted residual factors for significantly intense reflections | 0.1253 |
| Weighted residual factors for all reflections included in the refinement | 0.1436 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.151 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 283570 (current) | 2023-05-06 | cif/ hkl/ Adding structures of 2312107 via cif-deposit CGI script. |
2312107.cif 2312107.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.