Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1514284
Preview
| Coordinates | 1514284.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C41 H31 Cl4 N O2 Pt S |
|---|---|
| Calculated formula | C41 H31 Cl4 N O2 Pt S |
| SMILES | C(Cl)(Cl)Cl.[Pt]1(c2c(c3[n]1cccc3)c1c(c(OC)c2)ccc2ccc3ccc4ccc5ccccc5c4c3c12)(Cl)[S](=O)(c1ccc(cc1)C)C |
| 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 | 13.2528 ± 0.0002 Å |
| b | 14.7365 ± 0.0002 Å |
| c | 18.3823 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3590.06 ± 0.09 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.031 |
| Residual factor for significantly intense reflections | 0.027 |
| Weighted residual factors for significantly intense reflections | 0.0719 |
| Weighted residual factors for all reflections included in the refinement | 0.0729 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
| 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. |
1514284.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. |
1514284.cif |
| 109263 | 2014-04-10 | cif/ Adding structures of 1514282, 1514283, 1514284, 1514285, 1514286, 1514287, 1514288 via cif-deposit CGI script. |
1514284.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.