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Information card for entry 1564319
Preview
| Coordinates | 1564319.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H24 N2 O1.03 S |
|---|---|
| Calculated formula | C36 H24 N2 O1.028 S |
| Title of publication | Controlling ultralong room temperature phosphorescence in organic compounds with sulfur oxidation state. |
| Authors of publication | Xu, Zhen; Climent, Clàudia; Brown, Christopher M.; Hean, Duane; Bardeen, Christopher J.; Casanova, David; Wolf, Michael O. |
| Journal of publication | Chemical science |
| Year of publication | 2020 |
| Journal volume | 12 |
| Journal issue | 1 |
| Pages of publication | 188 - 195 |
| a | 29.117 ± 0.006 Å |
| b | 5.3771 ± 0.0012 Å |
| c | 20.697 ± 0.005 Å |
| α | 90° |
| β | 128.911 ± 0.005° |
| γ | 90° |
| Cell volume | 2521.4 ± 1 Å3 |
| Cell temperature | 100.15 K |
| Ambient diffraction temperature | 100.15 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0741 |
| Residual factor for significantly intense reflections | 0.0485 |
| Weighted residual factors for significantly intense reflections | 0.103 |
| Weighted residual factors for all reflections included in the refinement | 0.1136 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 267936 (current) | 2021-08-04 | cif/ Adding structures of 1564319, 1564320 via cif-deposit CGI script. |
1564319.cif |
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Users of the data should acknowledge the original authors of the
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