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Information card for entry 1557788
Preview
| Coordinates | 1557788.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H14 I N2 O2 |
|---|---|
| Calculated formula | C10 H14 I N2 O2 |
| SMILES | ICC(=O)N1C2CC3[N](=O)C(CC1C3)C2 |
| Title of publication | Supramolecular Approach to Electron Paramagnetic Resonance Distance Measurement of Spin-Labeled Proteins. |
| Authors of publication | Yang, Zhimin; Stein, Richard A.; Ngendahimana, Thacien; Pink, Maren; Rajca, Suchada; Jeschke, Gunnar; Eaton, Sandra S.; Eaton, Gareth R.; Mchaourab, Hassane S.; Rajca, Andrzej |
| Journal of publication | The journal of physical chemistry. B |
| Year of publication | 2020 |
| a | 8.3415 ± 0.0004 Å |
| b | 10.1215 ± 0.0004 Å |
| c | 25.9996 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2195.11 ± 0.17 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0225 |
| Residual factor for significantly intense reflections | 0.0172 |
| Weighted residual factors for significantly intense reflections | 0.0551 |
| Weighted residual factors for all reflections included in the refinement | 0.0694 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.301 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 250737 (current) | 2020-04-14 | cif/ Adding structures of 1557788 via cif-deposit CGI script. |
1557788.cif |
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Users of the data should acknowledge the original authors of the
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