Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7223257
Preview
| Coordinates | 7223257.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H16 I2 O4 S2 |
|---|---|
| Calculated formula | C16 H16 I2 O4 S2 |
| SMILES | c1(c2c(c(C(c3c4c(c(I)s3)OCCO4)CCC)s1)OCCO2)I |
| Title of publication | Investigation of Substitution Effect on Poly(bis-3,4-ethylenedioxythiophene methine)s through Solid State Polymerization |
| Authors of publication | Peng, Kai; Pei, Tong; Li, Zhaoxiang; Huang, Lili; Xia, Jiangbin |
| Journal of publication | RSC Adv. |
| Year of publication | 2015 |
| a | 8.5162 ± 0.0005 Å |
| b | 7.987 ± 0.0005 Å |
| c | 27.2258 ± 0.0015 Å |
| α | 90° |
| β | 93.39 ± 0.001° |
| γ | 90° |
| Cell volume | 1848.63 ± 0.19 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0309 |
| Residual factor for significantly intense reflections | 0.0264 |
| Weighted residual factors for significantly intense reflections | 0.0773 |
| Weighted residual factors for all reflections included in the refinement | 0.1031 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.255 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 170312 (current) | 2015-11-14 | cif/ Adding structures of 7223257, 7223258, 7223259 via cif-deposit CGI script. |
7223257.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.