Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7112629
Preview
| Coordinates | 7112629.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H13 O |
|---|---|
| Calculated formula | C40 H52 O |
| SMILES | c12c(c3c(o1)cc1c(c3)ccc(c1)CCCCCCCCCC)cc1c(cc(CCCCCCCCCC)cc1)c2 |
| Title of publication | Furan fused V-shaped organic semiconducting materials with high emission and high mobility |
| Authors of publication | Katsumasa Nakahara; Chikahiko Mitsui; Toshihiro Okamoto; Masakazu Yamagishi; Hiroyuki Matsui; Takanari Ueno; Yuji Tanaka; Masafumi Yano; Takeshi Matsushita; Junshi Soeda; Yuri Hirose; Hiroyasu Sato; Akihito Yamanof; Jun Takeya |
| Journal of publication | Chem.Commun. |
| Year of publication | 2014 |
| Journal volume | 50 |
| Pages of publication | 5342 |
| a | 5.9067 ± 0.0003 Å |
| b | 72.191 ± 0.004 Å |
| c | 7.3415 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3130.5 ± 0.3 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 3 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for significantly intense reflections | 0.1552 |
| Weighted residual factors for all reflections included in the refinement | 0.3751 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|
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.