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Information card for entry 2101267
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| Coordinates | 2101267.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | (E)-2,2,2',2'-tetramethyl-1,1'-biindanylidene |
|---|---|
| Formula | C22 H24 |
| Calculated formula | C22 H24 |
| SMILES | CC1(C)Cc2c(/C1=C1/c3ccccc3CC1(C)C)cccc2 |
| 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 | 10.703 ± 0.002 Å |
| b | 15.902 ± 0.002 Å |
| c | 10.302 ± 0.002 Å |
| α | 90.65 ± 0.01° |
| β | 90.01 ± 0.02° |
| γ | 103.86 ± 0.01° |
| Cell volume | 1702.2 ± 0.5 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 2 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.141 |
| Residual factor for significantly intense reflections | 0.056 |
| Weighted residual factors for all reflections | 0.064 |
| Weighted residual factors for significantly intense reflections | 0.058 |
| Goodness-of-fit parameter for all reflections | 1.262 |
| Goodness-of-fit parameter for significantly intense reflections | 1.642 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CopperKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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