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Information card for entry 4129326
Preview
| Coordinates | 4129326.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H16 F12 N4 O4 Pd |
|---|---|
| Calculated formula | C27 H16 F12 N4 O4 Pd |
| Title of publication | Simultaneous chirality sensing of multiple amines by (19)F NMR. |
| Authors of publication | Zhao, Yanchuan; Swager, Timothy M. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2015 |
| Journal volume | 137 |
| Journal issue | 9 |
| Pages of publication | 3221 - 3224 |
| a | 11.3535 ± 0.0004 Å |
| b | 15.0535 ± 0.0005 Å |
| c | 16.8302 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2876.45 ± 0.17 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0168 |
| Residual factor for significantly intense reflections | 0.0165 |
| Weighted residual factors for significantly intense reflections | 0.0427 |
| Weighted residual factors for all reflections included in the refinement | 0.0429 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 240061 (current) | 2019-11-25 | cif/ Adding structures of 4129326 via cif-deposit CGI script. |
4129326.cif |
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Users of the data should acknowledge the original authors of the
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