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Information card for entry 7225513
Preview
| Coordinates | 7225513.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H24 Fe N2 O |
|---|---|
| Calculated formula | C32 H24 Fe N2 O |
| SMILES | [cH]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[c]2([cH]1[cH]6[c]7([c]82C(=O)Nc1cccc2c1nccc2)c1ccccc1)c1ccccc1 |
| Title of publication | Palladium-catalyzed direct C-H arylation of ferrocenecarboxamides with aryl halides |
| Authors of publication | Qiao, Huijie; Sun, Suyan; Yang, Fan; Zhu, Yu; Zhu, Weiguo; Wu, Yusheng; Wu, Yangjie |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 11.3423 ± 0.0006 Å |
| b | 14.2822 ± 0.0004 Å |
| c | 16.0589 ± 0.0007 Å |
| α | 90° |
| β | 107.98 ± 0.005° |
| γ | 90° |
| Cell volume | 2474.4 ± 0.2 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291.15 K |
| Number of distinct elements | 5 |
| 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 | 0.0531 |
| Residual factor for significantly intense reflections | 0.0401 |
| Weighted residual factors for significantly intense reflections | 0.0962 |
| Weighted residual factors for all reflections included in the refinement | 0.1034 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 183451 (current) | 2016-06-14 | cif/ Adding structures of 7225513, 7225514 via cif-deposit CGI script. |
7225513.cif |
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