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Information card for entry 7156526
Preview
| Coordinates | 7156526.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | KH-85-Ic |
|---|---|
| Formula | C21 H18 Cl2 O3 S |
| Calculated formula | C21 H18 Cl2 O3 S |
| Title of publication | A hemithioindigo molecular motor for metal surface attachment. |
| Authors of publication | Hoffmann, Kerstin; Mayer, Peter; Dube, Henry |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2019 |
| Journal volume | 17 |
| Journal issue | 7 |
| Pages of publication | 1979 - 1983 |
| a | 12.7042 ± 0.0013 Å |
| b | 7.6415 ± 0.0007 Å |
| c | 19.807 ± 0.002 Å |
| α | 90° |
| β | 102.369 ± 0.004° |
| γ | 90° |
| Cell volume | 1878.2 ± 0.3 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0586 |
| Residual factor for significantly intense reflections | 0.0417 |
| Weighted residual factors for significantly intense reflections | 0.0859 |
| Weighted residual factors for all reflections included in the refinement | 0.0928 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.152 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 225207 (current) | 2019-11-08 | cif/ Updating files of 7156524, 7156525, 7156526, 7156527, 7156528, 7156529 Original log message: Adding full bibliography for 7156524--7156529.cif. |
7156526.cif |
| 211588 | 2018-10-23 | cif/ Adding structures of 7156524, 7156525, 7156526, 7156527, 7156528, 7156529 via cif-deposit CGI script. |
7156526.cif |
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Users of the data should acknowledge the original authors of the
structural data.