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Information card for entry 4086949
Preview
| Coordinates | 4086949.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C33 H60 B3 N |
|---|---|
| Calculated formula | C33 H60 B3 N |
| Title of publication | Dynamic Exchange in Intramolecular Lewis Pairs with Multiple Lewis-Acidic Functions |
| Authors of publication | Körte, Leif A.; Blomeyer, Sebastian; Peters, Jan-Hendrik; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W. |
| Journal of publication | Organometallics |
| Year of publication | 2017 |
| Journal volume | 36 |
| Journal issue | 3 |
| Pages of publication | 742 |
| a | 8.4657 ± 0.0007 Å |
| b | 13.0744 ± 0.0018 Å |
| c | 14.2825 ± 0.0015 Å |
| α | 75.75 ± 0.01° |
| β | 80.154 ± 0.008° |
| γ | 82.275 ± 0.009° |
| Cell volume | 1502.6 ± 0.3 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0613 |
| Residual factor for significantly intense reflections | 0.0476 |
| Weighted residual factors for significantly intense reflections | 0.1266 |
| Weighted residual factors for all reflections included in the refinement | 0.1323 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301831 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure. |
4086949.cif |
| 193625 | 2017-03-04 | cif/ Updating files of 4086947, 4086948, 4086949 Original log message: Adding full bibliography for 4086947--4086949.cif. |
4086949.cif |
| 190950 | 2017-01-26 | cif/ Adding structures of 4086947, 4086948, 4086949 via cif-deposit CGI script. |
4086949.cif |
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Users of the data should acknowledge the original authors of the
structural data.