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Information card for entry 7112338
Preview
| Coordinates | 7112338.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H28 O2 |
|---|---|
| Calculated formula | C34 H28 O2 |
| SMILES | OCCC#Cc1ccc(C(=C(\c2ccccc2)c2ccc(cc2)C#CCCO)\c2ccccc2)cc1 |
| Title of publication | Control of aggregation-induced emission by DNA hybridization. |
| Authors of publication | Li, Shaoguang; Langenegger, Simon M.; Häner, Robert |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2013 |
| Journal volume | 49 |
| Journal issue | 52 |
| Pages of publication | 5835 - 5837 |
| a | 11.69544 ± 0.00018 Å |
| b | 5.52783 ± 0.0001 Å |
| c | 42.0817 ± 0.0007 Å |
| α | 90° |
| β | 103.306 ± 0.0016° |
| γ | 90° |
| Cell volume | 2647.56 ± 0.08 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0607 |
| Residual factor for significantly intense reflections | 0.0455 |
| Weighted residual factors for significantly intense reflections | 0.0904 |
| Weighted residual factors for all reflections included in the refinement | 0.0977 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
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