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Information card for entry 7709014
Preview
| Coordinates | 7709014.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H24 B F10 N |
|---|---|
| Calculated formula | C29 H24 B F10 N |
| SMILES | N(/C(=C/B(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)C/C=C/c1ccccc1)(C(C)C)C(C)C |
| Title of publication | Formation of cyclic (boryl)iminomethane derivatives by insertion of isocyanides into the boron-carbon bond |
| Authors of publication | Zhou, Haiyu; Wang, Jingjing; Meng, Yuxuan; Liu, Fei; Wang, Tongdao |
| Journal of publication | Dalton Transactions |
| Year of publication | 2021 |
| a | 28.371 ± 0.003 Å |
| b | 8.6644 ± 0.0009 Å |
| c | 22.055 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5421.5 ± 0.9 Å3 |
| Cell temperature | 200 K |
| Ambient diffraction temperature | 200 K |
| Number of distinct elements | 5 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.1574 |
| Residual factor for significantly intense reflections | 0.0682 |
| Weighted residual factors for significantly intense reflections | 0.1128 |
| Weighted residual factors for all reflections included in the refinement | 0.1306 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 271071 (current) | 2021-12-04 | cif/ Adding structures of 7709011, 7709012, 7709013, 7709014, 7709015, 7709016 via cif-deposit CGI script. |
7709014.cif |
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Users of the data should acknowledge the original authors of the
structural data.