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Information card for entry 1568989
Preview
| Coordinates | 1568989.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H17 N3 O S |
|---|---|
| Calculated formula | C23 H17 N3 O S |
| Title of publication | A cross-conjugation approach for high-performance diaryl-hemithioindigo photoswitches. |
| Authors of publication | Zitzmann, Max; Hampel, Frank; Dube, Henry |
| Journal of publication | Chemical science |
| Year of publication | 2023 |
| Journal volume | 14 |
| Journal issue | 21 |
| Pages of publication | 5734 - 5742 |
| a | 7.1543 ± 0.0002 Å |
| b | 11.4783 ± 0.0004 Å |
| c | 23.2717 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1911.05 ± 0.11 Å3 |
| Cell temperature | 153 ± 1 K |
| Ambient diffraction temperature | 153 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0535 |
| Residual factor for significantly intense reflections | 0.0493 |
| Weighted residual factors for significantly intense reflections | 0.1307 |
| Weighted residual factors for all reflections included in the refinement | 0.1355 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284248 (current) | 2023-06-05 | cif/ Updating files of 1568986, 1568987, 1568988, 1568989, 1568990, 1568991 Original log message: Adding full bibliography for 1568986--1568991.cif. |
1568989.cif |
| 282931 | 2023-05-02 | cif/ Adding structures of 1568986, 1568987, 1568988, 1568989, 1568990, 1568991 via cif-deposit CGI script. |
1568989.cif |
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.
Users of the data should acknowledge the original authors of the
structural data.