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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 |
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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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