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Information card for entry 1514286
Preview
| Coordinates | 1514286.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H14 N2 |
|---|---|
| Calculated formula | C20 H14 N2 |
| SMILES | n1c(c2cccc3cccc(c23)c2ncccc2)cccc1 |
| Title of publication | Straightforward access to mono- and bis-cycloplatinated helicenes that display circularly polarized phosphorescence using crystallization resolution methods. |
| Authors of publication | Shen, Chengshuo; Anger, Emmanuel; Srebro, Monika; Vanthuyne, Nicolas; Deol, Kirandeep K.; Jefferson, Jr, Truman D; Muller, Gilles; Gareth Williams, J. A.; Toupet, Loïc; Roussel, Christian; Autschbach, Jochen; Réau, Régis; Crassous, Jeanne |
| Journal of publication | Chemical science (Royal Society of Chemistry : 2010) |
| Year of publication | 2014 |
| Journal volume | 5 |
| Journal issue | 5 |
| Pages of publication | 1915 - 1927 |
| a | 7.5661 ± 0.0002 Å |
| b | 12.3042 ± 0.0003 Å |
| c | 7.9592 ± 0.0003 Å |
| α | 90° |
| β | 105.511 ± 0.003° |
| γ | 90° |
| Cell volume | 713.97 ± 0.04 Å3 |
| Cell temperature | 140 ± 2 K |
| Ambient diffraction temperature | 140 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0398 |
| Residual factor for significantly intense reflections | 0.0319 |
| Weighted residual factors for significantly intense reflections | 0.0677 |
| Weighted residual factors for all reflections included in the refinement | 0.0695 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1514286.cif |
| 116156 | 2014-06-07 | cif/ Updating files of 1514282, 1514283, 1514284, 1514285, 1514286, 1514287, 1514288 Original log message: Adding full bibliography for 1514282--1514288.cif. |
1514286.cif |
| 109263 | 2014-04-10 | cif/ Adding structures of 1514282, 1514283, 1514284, 1514285, 1514286, 1514287, 1514288 via cif-deposit CGI script. |
1514286.cif |
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Users of the data should acknowledge the original authors of the
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