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Information card for entry 4000007
Preview
| Coordinates | 4000007.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H46 O3 S |
|---|---|
| Calculated formula | C30 H46 O3 S |
| SMILES | CCCCCCCCCCC#CC#CCCCCCCCCCOS(=O)(=O)c1ccc(cc1)C |
| Title of publication | Macroscopic Helical and Cylindrical Morphologies from Achiral 1,3-Diynes |
| Authors of publication | Lindsell, W. Edward; Preston, Peter N.; Seddon, John M.; Rosair, Georgina M.; Woodman, Thomas A. J. |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2000 |
| Journal volume | 12 |
| Journal issue | 6 |
| Pages of publication | 1572 - 1576 |
| a | 5.973 ± 0.001 Å |
| b | 8.069 ± 0.001 Å |
| c | 29.524 ± 0.003 Å |
| α | 95.02 ± 0.01° |
| β | 93.26 ± 0.01° |
| γ | 97.48 ± 0.01° |
| Cell volume | 1402.1 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0619 |
| Residual factor for significantly intense reflections | 0.0427 |
| Weighted residual factors for significantly intense reflections | 0.1067 |
| Weighted residual factors for all reflections included in the refinement | 0.1173 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 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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