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Information card for entry 8106963
Preview
| Coordinates | 8106963.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H19 Fe N3 O3 S |
|---|---|
| Calculated formula | C23 H19 Fe N3 O3 S |
| Title of publication | Crystal structure of 3-ferrocenylsulfonyl-2-(4-methoxyphenyl)-3H-imidazo[4,5-b]pyridine, C23H19FeN3O3S |
| Authors of publication | Wang, Yu-Xian; Wang, Lu-Yao; Guo, Xiao-Long; Li, Lu |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 2 |
| Pages of publication | 641 - 643 |
| a | 13.1372 ± 0.0006 Å |
| b | 9.6866 ± 0.0005 Å |
| c | 15.97 ± 0.0008 Å |
| α | 90° |
| β | 92.499 ± 0.002° |
| γ | 90° |
| Cell volume | 2030.33 ± 0.17 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0348 |
| Residual factor for significantly intense reflections | 0.0294 |
| Weighted residual factors for significantly intense reflections | 0.0764 |
| Weighted residual factors for all reflections included in the refinement | 0.0807 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282014 (current) | 2023-03-23 | cif/ Adding structures of 8106963 via cif-deposit CGI script. |
8106963.cif |
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Users of the data should acknowledge the original authors of the
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