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Information card for entry 4130510
Preview
| Coordinates | 4130510.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H66 B3 N3 O0.15 |
|---|---|
| Calculated formula | C42 H66 B3 N3 O0.15 |
| Title of publication | Synthesis of Functionalized 1,4-Azaborinines by the Cyclization of Di-tert-butyliminoborane and Alkynes. |
| Authors of publication | Schäfer, Marius; Beattie, Nicholas A.; Geetharani, K.; Schäfer, Julian; Ewing, William C.; Krahfuß, Mirjam; Hörl, Christian; Dewhurst, Rian D.; Macgregor, Stuart A.; Lambert, Christoph; Braunschweig, Holger |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2016 |
| Journal volume | 138 |
| Journal issue | 26 |
| Pages of publication | 8212 - 8220 |
| a | 15.57 ± 0.005 Å |
| b | 15.57 ± 0.005 Å |
| c | 14.579 ± 0.008 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 3061 ± 2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 146 |
| Hermann-Mauguin space group symbol | R 3 :H |
| Hall space group symbol | R 3 |
| Residual factor for all reflections | 0.0686 |
| Residual factor for significantly intense reflections | 0.0494 |
| Weighted residual factors for significantly intense reflections | 0.1116 |
| Weighted residual factors for all reflections included in the refinement | 0.12 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 240919 (current) | 2019-11-25 | cif/ Adding structures of 4130504, 4130505, 4130506, 4130507, 4130508, 4130509, 4130510 via cif-deposit CGI script. |
4130510.cif |
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Users of the data should acknowledge the original authors of the
structural data.