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Information card for entry 4128310
Preview
| Coordinates | 4128310.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C21 H25 B N2 O2 |
|---|---|
| Calculated formula | C21 H25 B N2 O2 |
| SMILES | O1c2c(O[B]1([n]1cn(cc1)CC)c1ccc(cc1)C(C)(C)C)cccc2 |
| Title of publication | Lewis Pairs as Highly Tunable Dynamic Cross-Links in Transient Polymer Networks. |
| Authors of publication | Vidal, Fernando; Gomezcoello, John; Lalancette, Roger A.; Jäkle, Frieder |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2019 |
| Journal volume | 141 |
| Journal issue | 40 |
| Pages of publication | 15963 - 15971 |
| a | 11.9238 ± 0.0005 Å |
| b | 13.673 ± 0.0007 Å |
| c | 12.7983 ± 0.0006 Å |
| α | 90° |
| β | 112.838 ± 0.003° |
| γ | 90° |
| Cell volume | 1922.99 ± 0.16 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0592 |
| Residual factor for significantly intense reflections | 0.0443 |
| Weighted residual factors for significantly intense reflections | 0.0805 |
| Weighted residual factors for all reflections included in the refinement | 0.0845 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.377 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301834 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
4128310.cif |
| 221433 | 2019-11-03 | cif/ Adding structures of 4128310 via cif-deposit CGI script. |
4128310.cif |
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Users of the data should acknowledge the original authors of the
structural data.