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Information card for entry 7233183
Preview
| Coordinates | 7233183.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H24 O4 S2 |
|---|---|
| Calculated formula | C28 H24 O4 S2 |
| SMILES | S(C1c2cc3ccccc3cc2C(SCCC(=O)O)c2c1cc1ccccc1c2)CCC(=O)O |
| Title of publication | Water soluble pentacene |
| Authors of publication | Chandrani Pramanik; Yushu Li; Anup Singh; Weimin Lin; Jennifer L. Hodgson; Jonathan B. Briggs; Simka Ellis; Peter Muller; Nicol E. McGruer; Glen P. Miller |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2013 |
| Journal volume | 1 |
| Pages of publication | 2193 - 2201 |
| a | 9.2953 ± 0.0019 Å |
| b | 26.199 ± 0.005 Å |
| c | 9.9218 ± 0.0017 Å |
| α | 90° |
| β | 98.104 ± 0.007° |
| γ | 90° |
| Cell volume | 2392.1 ± 0.8 Å3 |
| Cell temperature | 300 ± 2 K |
| Ambient diffraction temperature | 300 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0893 |
| Residual factor for significantly intense reflections | 0.0456 |
| Weighted residual factors for significantly intense reflections | 0.0882 |
| Weighted residual factors for all reflections included in the refinement | 0.1036 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 217115 (current) | 2019-07-17 | cif/ Adding structures of 7233183 via cif-deposit CGI script. |
7233183.cif |
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Users of the data should acknowledge the original authors of the
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