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Information card for entry 4131867
Preview
| Coordinates | 4131867.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H28 B F10 N |
|---|---|
| Calculated formula | C29 H28 B F10 N |
| Title of publication | Formation of Reactive π-Conjugated Frustrated N/B Pairs by Borane-Induced Propargyl Amine Rearrangement. |
| Authors of publication | Wang, Tongdao; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Kehr, Gerald; Erker, Gerhard |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2018 |
| Journal volume | 140 |
| Journal issue | 10 |
| Pages of publication | 3635 - 3643 |
| a | 29.854 ± 0.005 Å |
| b | 10.5623 ± 0.0015 Å |
| c | 23.234 ± 0.006 Å |
| α | 90° |
| β | 129.007 ± 0.008° |
| γ | 90° |
| Cell volume | 5693 ± 2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0867 |
| Residual factor for significantly intense reflections | 0.0526 |
| Weighted residual factors for significantly intense reflections | 0.1107 |
| Weighted residual factors for all reflections included in the refinement | 0.1281 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 241969 (current) | 2019-11-25 | cif/ Adding structures of 4131867, 4131868, 4131869, 4131870, 4131871, 4131872, 4131873, 4131874, 4131875 via cif-deposit CGI script. |
4131867.cif |
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Users of the data should acknowledge the original authors of the
structural data.