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Information card for entry 4515857
Preview
| Coordinates | 4515857.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H32 B N S2 |
|---|---|
| Calculated formula | C28 H32 B N S2 |
| SMILES | s1c(c(cc1)N(C)C)c1sccc1B(c1c(C)cc(C)cc1C)c1c(cc(cc1C)C)C |
| Title of publication | Impact of the 2,2'-Bithienyl Framework on the Charge-Transfer Emission of Triarylborane-Based o,o'-Substituted Biaryls. |
| Authors of publication | Li, Sheng-Yong; Sun, Zuo-Bang; Zhao, Cui-Hua |
| Journal of publication | ACS omega |
| Year of publication | 2018 |
| Journal volume | 3 |
| Journal issue | 10 |
| Pages of publication | 12730 - 12736 |
| a | 16.9687 ± 0.0007 Å |
| b | 9.905 ± 0.0009 Å |
| c | 17.5869 ± 0.001 Å |
| α | 90° |
| β | 117.124 ± 0.003° |
| γ | 90° |
| Cell volume | 2630.8 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 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 | 0.0606 |
| Residual factor for significantly intense reflections | 0.0518 |
| Weighted residual factors for significantly intense reflections | 0.1408 |
| Weighted residual factors for all reflections included in the refinement | 0.15 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
| Diffraction radiation wavelength | 0.71 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 225957 (current) | 2019-11-10 | cif/ Adding structures of 4515857 via cif-deposit CGI script. |
4515857.cif |
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Users of the data should acknowledge the original authors of the
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