Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2019868
Preview
| Coordinates | 2019868.cif |
|---|---|
| Structure factors | 2019868.hkl |
| Original IUCr paper | HTML |
| Chemical name | 9-{4-[(9,9-Dimethyl-9<i>H</i>-fluoren-2-yl)dimethylsilyl]phenyl}-9<i>H</i>-carbazole |
|---|---|
| Formula | C35 H31 N Si |
| Calculated formula | C35 H31 N Si |
| SMILES | [Si](C)(C)(c1ccc(n2c3ccccc3c3ccccc23)cc1)c1cc2c(cc1)c1c(C2(C)C)cccc1 |
| Title of publication | Incorporating two different chromophores onto a silicon atom: the crystal structure and photophysical properties of 9-{4-[(9,9-dimethyl-9<i>H</i>-fluoren-2-yl)dimethylsilyl]phenyl}-9<i>H</i>-carbazole |
| Authors of publication | Lee, Ah-Rang; Han, Won-Sik |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 3 |
| a | 12.8008 ± 0.0015 Å |
| b | 9.5323 ± 0.0011 Å |
| c | 22.906 ± 0.003 Å |
| α | 90° |
| β | 92.817 ± 0.003° |
| γ | 90° |
| Cell volume | 2791.6 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.2061 |
| Residual factor for significantly intense reflections | 0.0586 |
| Weighted residual factors for significantly intense reflections | 0.1412 |
| Weighted residual factors for all reflections included in the refinement | 0.2215 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.972 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181868 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/98. |
2019868.cif 2019868.hkl |
| 180866 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/98. |
2019868.cif 2019868.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019868.cif 2019868.hkl |
| 131858 | 2015-02-14 | cif/ hkl/ Adding structures of 2019868 via cif-deposit CGI script. |
2019868.cif 2019868.hkl |
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.