Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1516430
Preview
| Coordinates | 1516430.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C72 H48 N4 Si |
|---|---|
| Calculated formula | C72 H48 N4 Si |
| SMILES | [Si](c1ccc(n2c3ccccc3c3ccccc23)cc1)(c1ccc(n2c3ccccc3c3ccccc23)cc1)(c1ccc(n2c3ccccc3c3ccccc23)cc1)c1ccc(n2c3ccccc3c3ccccc23)cc1 |
| Title of publication | Silicon-Based Blue Phosphorescence Host Materials: Structure and Photophysical Property Relationship on Methyl/Phenylsilanes Adorned with 4-(N-Carbazolyl)phenyl Groups and Optimization of Their Electroluminescence by Peripheral 4-(N-Carbazolyl)phenyl Numbers |
| Authors of publication | Han, Won-Sik; Son, Ho-Jin; Wee, Kyung-Ryang; Min, Kyoung-Tae; Kwon, Soonnam; Suh, Il-Hwan; Choi, Seung-Hoon; Jung, Dong Hyun; Kang, Sang Ook |
| Journal of publication | The Journal of Physical Chemistry C |
| Year of publication | 2009 |
| Journal volume | 113 |
| Journal issue | 45 |
| Pages of publication | 19686 |
| a | 8.2688 ± 0.0014 Å |
| b | 13.798 ± 0.002 Å |
| c | 23.516 ± 0.004 Å |
| α | 79.314 ± 0.004° |
| β | 80.893 ± 0.004° |
| γ | 81.98 ± 0.004° |
| Cell volume | 2586.4 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1168 |
| Residual factor for significantly intense reflections | 0.0506 |
| Weighted residual factors for significantly intense reflections | 0.1111 |
| Weighted residual factors for all reflections included in the refinement | 0.1433 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1516430.cif |
| 176729 | 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. |
1516430.cif |
| 114858 | 2014-05-29 | cif/ Adding structures of 1516427, 1516428, 1516429, 1516430, 1516431, 1516432, 1516433 via cif-deposit CGI script. |
1516430.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.