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Information card for entry 1519915
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| Coordinates | 1519915.cif |
|---|
| Formula | C18 H12 S |
|---|---|
| Calculated formula | C18 H12 S |
| SMILES | s1c2c3ccccc3Cc2c2c1c1c(C2)cccc1 |
| Title of publication | 10,11-Dihydrodiindeno[1,2-b:2',1'-d]thiophene |
| Authors of publication | Coles, Simon J.; Hursthouse, Michael B.; Skabara, Peter J.; Afonina, Irina; Kanibolotsky, Alexander |
| Journal of publication | Crystal Structure Report Archive |
| Year of publication | 2008 |
| Pages of publication | 604 |
| a | 8.3358 ± 0.0006 Å |
| b | 26.3096 ± 0.0017 Å |
| c | 5.6923 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1248.39 ± 0.14 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 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 all reflections | 0.078 |
| Residual factor for significantly intense reflections | 0.0629 |
| Weighted residual factors for significantly intense reflections | 0.1449 |
| Weighted residual factors for all reflections included in the refinement | 0.1586 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 137248 (current) | 2015-05-22 | cif/ Adding structures of 1519915 via cif-deposit CGI script. |
1519915.cif |
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Users of the data should acknowledge the original authors of the
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