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Information card for entry 1514285
Preview
| Coordinates | 1514285.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H30 Cl N O2 Pt S |
|---|---|
| Calculated formula | C40 H30 Cl N O2 Pt S |
| SMILES | c1cccc2c3c([Pt]([n]12)([S](C)(c1ccc(cc1)C)=O)Cl)cc(c1ccc2ccc4ccc5ccc6ccccc6c5c4c2c31)OC |
| 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 | 7.7976 ± 0.0002 Å |
| b | 13.3596 ± 0.0004 Å |
| c | 15.247 ± 0.0004 Å |
| α | 90° |
| β | 93.639 ± 0.002° |
| γ | 90° |
| Cell volume | 1585.12 ± 0.08 Å3 |
| Cell temperature | 140 ± 2 K |
| Ambient diffraction temperature | 140 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0641 |
| Residual factor for significantly intense reflections | 0.0418 |
| Weighted residual factors for significantly intense reflections | 0.079 |
| Weighted residual factors for all reflections included in the refinement | 0.0826 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.927 |
| 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. |
1514285.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. |
1514285.cif |
| 109263 | 2014-04-10 | cif/ Adding structures of 1514282, 1514283, 1514284, 1514285, 1514286, 1514287, 1514288 via cif-deposit CGI script. |
1514285.cif |
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Users of the data should acknowledge the original authors of the
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