Information card for entry 1552131
| Chemical name |
HMB |
| Formula |
C12 H18 |
| Calculated formula |
C12 H18 |
| SMILES |
c1(c(c(C)c(c(c1C)C)C)C)C |
| Title of publication |
Martensitic organic crystals as soft actuators |
| Authors of publication |
Li, Liang; Commins, Patrick; Al-Handawi, Marieh B.; Karothu, Durga Prasad; Halabi, Jad Mahmoud; Schramm, Stefan; Weston, James; Rezgui, Rachid; Naumov, Panče |
| Journal of publication |
Chemical Science |
| Year of publication |
2019 |
| a |
5.322 ± 0.008 Å |
| b |
6.293 ± 0.01 Å |
| c |
8.099 ± 0.012 Å |
| α |
104.05 ± 0.02° |
| β |
99.08 ± 0.02° |
| γ |
99.34 ± 0.02° |
| Cell volume |
254.1 ± 0.7 Å3 |
| Cell temperature |
296 K |
| Ambient diffraction temperature |
296.15 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 |
0.0753 |
| Residual factor for significantly intense reflections |
0.0675 |
| Weighted residual factors for significantly intense reflections |
0.2211 |
| Weighted residual factors for all reflections included in the refinement |
0.2318 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.123 |
| Diffraction radiation probe |
x-ray |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/1552131.html
