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Information card for entry 8106327
Preview
| Coordinates | 8106327.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H24 N4 O S2 |
|---|---|
| Calculated formula | C38 H24 N4 O S2 |
| Title of publication | Crystal structure of 2,5-bis(4-(10H-phenothiazin-10-yl)phenyl)-1,3,4-oxadiazole, C38H24N4OS2 |
| Authors of publication | Wu, Qiong; Zhang, Heng-Qiang; Ramanaskanda, Braveenth; Chai, Kyu-Yun |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2018 |
| Journal volume | 233 |
| Journal issue | 5 |
| Pages of publication | 869 - 871 |
| a | 10.9621 ± 0.0006 Å |
| b | 19.7851 ± 0.0011 Å |
| c | 14.1928 ± 0.0009 Å |
| α | 90° |
| β | 100.957 ± 0.006° |
| γ | 90° |
| Cell volume | 3022.1 ± 0.3 Å3 |
| Cell temperature | 172.99 ± 0.1 K |
| Ambient diffraction temperature | 172.99 ± 0.1 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 | 0.0897 |
| Residual factor for significantly intense reflections | 0.0528 |
| Weighted residual factors for significantly intense reflections | 0.109 |
| Weighted residual factors for all reflections included in the refinement | 0.1294 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279703 (current) | 2022-12-05 | cif/ Adding structures of 8106327 via cif-deposit CGI script. |
8106327.cif |
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Users of the data should acknowledge the original authors of the
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