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Information card for entry 8000508
Preview
| Coordinates | 8000508.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H34 Fe N4 O8 |
|---|---|
| Calculated formula | C34 H34 Fe N4 O8 |
| Title of publication | Water-Mediated Folding Behaviors and Chiroptical Inversion of Ferrocene-Conjugated Dipeptides |
| Authors of publication | Liu, Bingyu; Hao, Aiyou; Xing, Pengyao |
| Journal of publication | The Journal of Physical Chemistry Letters |
| Year of publication | 2021 |
| Pages of publication | 6190 - 6196 |
| a | 12.6429 ± 0.0003 Å |
| b | 12.1175 ± 0.0002 Å |
| c | 11.3048 ± 0.0003 Å |
| α | 90° |
| β | 113.733 ± 0.003° |
| γ | 90° |
| Cell volume | 1585.43 ± 0.07 Å3 |
| Cell temperature | 172.99 ± 0.1 K |
| Ambient diffraction temperature | 172.99 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0325 |
| Residual factor for significantly intense reflections | 0.0319 |
| Weighted residual factors for significantly intense reflections | 0.0777 |
| Weighted residual factors for all reflections included in the refinement | 0.0779 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 266817 (current) | 2021-07-01 | cif/ Adding structures of 8000508 via cif-deposit CGI script. |
8000508.cif |
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Users of the data should acknowledge the original authors of the
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