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Information card for entry 4131874
Preview
| Coordinates | 4131874.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C37 H36 B F10 N O |
|---|---|
| Calculated formula | C37 H36 B F10 N O |
| 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 | 10.0116 ± 0.0002 Å |
| b | 10.3869 ± 0.0002 Å |
| c | 16.58 ± 0.0005 Å |
| α | 75.778 ± 0.001° |
| β | 79.29 ± 0.001° |
| γ | 83.508 ± 0.002° |
| Cell volume | 1638.07 ± 0.07 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0651 |
| Residual factor for significantly intense reflections | 0.0511 |
| Weighted residual factors for significantly intense reflections | 0.1079 |
| Weighted residual factors for all reflections included in the refinement | 0.1186 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.097 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
4131874.cif |
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Users of the data should acknowledge the original authors of the
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