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Information card for entry 1559173
Preview
| Coordinates | 1559173.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 2-Hradical |
|---|---|
| Chemical name | 2-Hradical |
| Formula | C30.95 H39.55 N4 O2.33 |
| Calculated formula | C30.954 H39.5516 N4 O2.3333 |
| Title of publication | Persistent, highly localized, and tunable [4]helicene radicals |
| Authors of publication | Shaikh, Aslam C.; Moutet, Jules; Veleta, José M.; Hossain, Md Mubarak; Bloch, Jan; Astashkin, Andrei V.; Gianetti, Thomas L. |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| a | 20.1829 ± 0.0005 Å |
| b | 10.7314 ± 0.0003 Å |
| c | 25.5707 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5538.4 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| 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 | 0.0906 |
| Residual factor for significantly intense reflections | 0.0669 |
| Weighted residual factors for significantly intense reflections | 0.1402 |
| Weighted residual factors for all reflections included in the refinement | 0.1505 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
| Diffraction radiation wavelength | 1.34138 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 256692 (current) | 2020-09-24 | cif/ Adding structures of 1559172, 1559173, 1559174, 1559175 via cif-deposit CGI script. |
1559173.cif |
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