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Information card for entry 4088860
Preview
| Coordinates | 4088860.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H17 B N4 O4 |
|---|---|
| Calculated formula | C11 H17 B N4 O4 |
| SMILES | [BH2](=C1N(C=CN1C)C)NN=C1C(=O)OC(OC1=O)(C)C |
| Title of publication | Radical and Thermal Reactions of N-Heterocyclic Carbene Boranes with Diazo Compounds |
| Authors of publication | Allen, Thomas H.; Geib, Steven J.; Curran, Dennis P. |
| Journal of publication | Organometallics |
| Year of publication | 2016 |
| Journal volume | 35 |
| Journal issue | 17 |
| Pages of publication | 2975 |
| a | 7.8797 ± 0.0003 Å |
| b | 8.5109 ± 0.0004 Å |
| c | 10.1918 ± 0.0004 Å |
| α | 90.0104 ± 0.0018° |
| β | 96.5593 ± 0.0017° |
| γ | 91.4265 ± 0.0019° |
| Cell volume | 678.81 ± 0.05 Å3 |
| Cell temperature | 230 ± 2 K |
| Ambient diffraction temperature | 230 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0365 |
| Residual factor for significantly intense reflections | 0.0338 |
| Weighted residual factors for significantly intense reflections | 0.1143 |
| Weighted residual factors for all reflections included in the refinement | 0.1179 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.472 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237860 (current) | 2019-11-24 | cif/ Adding structures of 4088859, 4088860, 4088861 via cif-deposit CGI script. |
4088860.cif |
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Users of the data should acknowledge the original authors of the
structural data.