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Information card for entry 7237557
Preview
| Coordinates | 7237557.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46.84 H30.84 Cl2.52 O4 |
|---|---|
| Calculated formula | C46.841 H30.841 Cl2.523 O4 |
| Title of publication | Programmed twisting of phenylene‒ethynylene linkages from aromatic stacking interactions |
| Authors of publication | Mullin, William J.; Pawle, Robert H.; Sharber, Seth A.; Müller, Peter; Thomas, Samuel W. |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2019 |
| Journal volume | 7 |
| Journal issue | 5 |
| Pages of publication | 1198 |
| a | 8.1455 ± 0.0007 Å |
| b | 9.8705 ± 0.0008 Å |
| c | 23.767 ± 0.002 Å |
| α | 80.595 ± 0.002° |
| β | 84.255 ± 0.002° |
| γ | 88.725 ± 0.003° |
| Cell volume | 1875.7 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0924 |
| Residual factor for significantly intense reflections | 0.0548 |
| Weighted residual factors for significantly intense reflections | 0.1337 |
| Weighted residual factors for all reflections included in the refinement | 0.1523 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237768 (current) | 2019-11-24 | cif/ Adding structures of 7237551, 7237552, 7237553, 7237554, 7237555, 7237556, 7237557, 7237558, 7237559 via cif-deposit CGI script. |
7237557.cif |
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Users of the data should acknowledge the original authors of the
structural data.