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Information card for entry 2022909
Preview
| Coordinates | 2022909.cif |
|---|---|
| Structure factors | 2022909.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-(Anthracen-9-yl)-1-(<i>tert</i>-butyldimethylsilyl)-3,6-dihydro-1λ^4^,2λ^4^-azaborinine |
|---|---|
| Formula | C24 H30 B N Si |
| Calculated formula | C24 H30 B N Si |
| SMILES | [Si](N1CC=CCB1c1c2c(cc3c1cccc3)cccc2)(C(C)(C)C)(C)C |
| Title of publication | Synthesis and crystal structure of 2-(anthracen-9-yl)-1-(<i>tert</i>-butyl-dimethyl-sil-yl)-3,6-di-hydro-1λ<sup>4</sup>,2λ<sup>4</sup>-aza-borinine. |
| Authors of publication | Gliese, Philipp J.; Appiarius, Yannik; Scheele, Tarek; Lork, Enno; Neudecker, Tim; Staubitz, Anne |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | Pt 11 |
| Pages of publication | 1012 - 1016 |
| a | 13.3292 ± 0.0006 Å |
| b | 11.1365 ± 0.0005 Å |
| c | 28.5973 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4245 ± 0.3 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0541 |
| Residual factor for significantly intense reflections | 0.0421 |
| Weighted residual factors for significantly intense reflections | 0.098 |
| Weighted residual factors for all reflections included in the refinement | 0.1033 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288144 (current) | 2023-12-07 | cif/ Updating files of 2022909 Original log message: Adding full bibliography for 2022909.cif. |
2022909.cif 2022909.hkl |
| 286891 | 2023-10-11 | cif/ hkl/ Adding structures of 2022909 via cif-deposit CGI script. |
2022909.cif 2022909.hkl |
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Users of the data should acknowledge the original authors of the
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