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Information card for entry 2200727
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| Coordinates | 2200727.cif |
|---|---|
| Structure factors | 2200727.hkl |
| Original IUCr paper | HTML |
| Common name | styrene |
|---|---|
| Chemical name | styrene |
| Formula | C8 H8 |
| Calculated formula | C8 H8 |
| SMILES | c1(ccccc1)C=C |
| Title of publication | Styrene at 83K |
| Authors of publication | Nobuhiro Yasuda; Hidehiro Uekusa; Yuji Ohashi |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 12 |
| Pages of publication | o1189 - o1190 |
| a | 15.6757 ± 0.0012 Å |
| b | 10.4805 ± 0.0008 Å |
| c | 7.5277 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1236.72 ± 0.17 Å3 |
| Cell temperature | 83 ± 2 K |
| Ambient diffraction temperature | 83 ± 2 K |
| Number of distinct elements | 2 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0433 |
| Residual factor for significantly intense reflections | 0.0388 |
| Weighted residual factors for all reflections included in the refinement | 0.0986 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
Version history
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Users of the data should acknowledge the original authors of the
structural data.