Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1503370
Preview
Coordinates | 1503370.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | compd-1 |
---|---|
Formula | C24 H22 S6 Si2 |
Calculated formula | C24 H22 S6 Si2 |
SMILES | [Si](C)(C)(C)c1cc2c3c4c(ccc5c4c4c(s5)sc5c4cc(s5)[Si](C)(C)C)sc3sc2s1 |
Title of publication | Syntheses and crystal structures of benzohexathia[7]helicene and naphthalene cored double helicene. |
Authors of publication | Wang, Zhihua; Shi, Jianwu; Wang, Jiange; Li, Chunli; Tian, Xinyong; Cheng, Yanxiang; Wang, Hua |
Journal of publication | Organic letters |
Year of publication | 2010 |
Journal volume | 12 |
Journal issue | 3 |
Pages of publication | 456 - 459 |
a | 8.9624 ± 0.0008 Å |
b | 19.1122 ± 0.0018 Å |
c | 31.228 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5349.1 ± 0.9 Å3 |
Cell temperature | 294 ± 2 K |
Ambient diffraction temperature | 294 ± 2 K |
Number of distinct elements | 4 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0589 |
Residual factor for significantly intense reflections | 0.0411 |
Weighted residual factors for significantly intense reflections | 0.0875 |
Weighted residual factors for all reflections included in the refinement | 0.0972 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1503370.html
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.