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Information card for entry 2101269
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| Coordinates | 2101269.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | (E)-4,4'-dimethyl-1,1'-biindanylidene |
|---|---|
| Formula | C20 H20 |
| Calculated formula | C20 H20 |
| SMILES | Cc1cccc2c1CC/C2=C1/CCc2c1cccc2C |
| Title of publication | Unusually short ethylene bond and large amplitude torsional motion of (<i>E</i>)-stilbenes in crystals. X-ray crystallographic study of `stiff' stilbenes |
| Authors of publication | Ogawa, K.; Harada, J.; Tomoda, S. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 1995 |
| Journal volume | 51 |
| Journal issue | 2 |
| Pages of publication | 240 - 248 |
| a | 5.182 ± 0.001 Å |
| b | 5.376 ± 0.002 Å |
| c | 24.079 ± 0.001 Å |
| α | 90° |
| β | 93.42 ± 0.02° |
| γ | 90° |
| Cell volume | 669.6 ± 0.3 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 2 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.047 |
| Residual factor for significantly intense reflections | 0.045 |
| Weighted residual factors for all reflections | 0.062 |
| Weighted residual factors for significantly intense reflections | 0.061 |
| Goodness-of-fit parameter for all reflections | 3.359 |
| Goodness-of-fit parameter for significantly intense reflections | 3.485 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CopperKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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