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Information card for entry 7223258
Preview
| Coordinates | 7223258.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H14 I2 O4 S2 |
|---|---|
| Calculated formula | C19 H14 I2 O4 S2 |
| SMILES | Ic1sc(c2c1OCCO2)C(c1sc(I)c2OCCOc12)c1ccccc1 |
| 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 | 16.083 ± 0.0007 Å |
| b | 16.083 Å |
| c | 7.8168 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2021.92 ± 0.14 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0188 |
| Residual factor for significantly intense reflections | 0.0184 |
| Weighted residual factors for significantly intense reflections | 0.0438 |
| Weighted residual factors for all reflections included in the refinement | 0.044 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| 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. |
7223258.cif |
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Users of the data should acknowledge the original authors of the
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