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Information card for entry 4087874
Preview
| Coordinates | 4087874.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H16 B N |
|---|---|
| Calculated formula | C10 H16 B N |
| SMILES | B(N(C(C)C)C(C)C)(C#C)C#C |
| Title of publication | Trisubstituted Boroles by 1,1-Carboboration |
| Authors of publication | Ge, Fang; Kehr, Gerald; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Erker, Gerhard |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 17 |
| Pages of publication | 4205 |
| a | 7.7036 ± 0.0002 Å |
| b | 25.5674 ± 0.0006 Å |
| c | 11.3476 ± 0.0004 Å |
| α | 90° |
| β | 103.421 ± 0.001° |
| γ | 90° |
| Cell volume | 2174 ± 0.11 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0767 |
| Residual factor for significantly intense reflections | 0.0592 |
| Weighted residual factors for significantly intense reflections | 0.138 |
| Weighted residual factors for all reflections included in the refinement | 0.1496 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.099 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237072 (current) | 2019-11-24 | cif/ Adding structures of 4087874, 4087875, 4087876, 4087877, 4087878 via cif-deposit CGI script. |
4087874.cif |
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Users of the data should acknowledge the original authors of the
structural data.