Information card for entry 4508289
| Chemical name |
E,E-1,4-diiodobuta-1,3-diene |
| Formula |
C4 H4 I2 |
| Calculated formula |
C4 H4 I2 |
| Title of publication |
Commensurate Urea Inclusion Crystals with the Guest (E,E)-1,4-Diiodo-1,3-Butadiene |
| Authors of publication |
Lashua, Amanda F.; Smith, Tiffany M.; Hu, Hegui; Wei, Lihui; Allis, Damian G.; Sponsler, Michael B.; Hudson, Bruce S. |
| Journal of publication |
Crystal Growth & Design |
| Year of publication |
2013 |
| Journal volume |
13 |
| Journal issue |
9 |
| Pages of publication |
3852 |
| a |
4.4077 ± 0.0005 Å |
| b |
5.8495 ± 0.0006 Å |
| c |
12.9648 ± 0.0013 Å |
| α |
90.061 ± 0.002° |
| β |
92.99 ± 0.002° |
| γ |
97.233 ± 0.002° |
| Cell volume |
331.15 ± 0.06 Å3 |
| Cell temperature |
90 ± 2 K |
| Ambient diffraction temperature |
90 ± 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 |
0.0336 |
| Residual factor for significantly intense reflections |
0.0312 |
| Weighted residual factors for significantly intense reflections |
0.0838 |
| Weighted residual factors for all reflections included in the refinement |
0.0851 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.243 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/4508289.html
