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Information card for entry 1552131
Preview
| Coordinates | 1552131.cif |
|---|---|
| Original paper (by DOI) | HTML |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 217249 (current) | 2019-07-25 | cif/ Adding structures of 1552131 via cif-deposit CGI script. |
1552131.cif |
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