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Information card for entry 4000258
Preview
| Coordinates | 4000258.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H30 Si |
|---|---|
| Calculated formula | C40 H30 Si |
| SMILES | c1ccc(cc1)C1=C(c2ccccc2)[Si](C(=C1c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2003 |
| a | 9.527 ± 0.004 Å |
| b | 10.043 ± 0.004 Å |
| c | 16.308 ± 0.006 Å |
| α | 77.15 ± 0.007° |
| β | 79.58 ± 0.007° |
| γ | 71.981 ± 0.007° |
| Cell volume | 1435.9 ± 0.9 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1002 |
| Residual factor for significantly intense reflections | 0.0639 |
| Weighted residual factors for significantly intense reflections | 0.1048 |
| Weighted residual factors for all reflections included in the refinement | 0.115 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.952 |
| 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
structural data.