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Information card for entry 1559030
Preview
| Coordinates | 1559030.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H21 N3 O S2 |
|---|---|
| Calculated formula | C19 H21 N3 O S2 |
| Title of publication | Photoisomerization of Dicyanorhodanine-Functionalized Thiophenes |
| Authors of publication | Castellano, Ronald K.; Kornman, Cory T.; Li, Lei; Weldeab, Asmerom O.; Ghiviriga, Ion; Abboud, Khalil A. |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| a | 13.387 ± 0.003 Å |
| b | 5.4878 ± 0.0011 Å |
| c | 24.641 ± 0.005 Å |
| α | 90° |
| β | 90.13 ± 0.006° |
| γ | 90° |
| Cell volume | 1810.3 ± 0.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0651 |
| Residual factor for significantly intense reflections | 0.0519 |
| Weighted residual factors for significantly intense reflections | 0.1003 |
| Weighted residual factors for all reflections included in the refinement | 0.1043 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 256287 (current) | 2020-09-10 | cif/ Adding structures of 1559030 via cif-deposit CGI script. |
1559030.cif |
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Users of the data should acknowledge the original authors of the
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