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Information card for entry 4125823
Preview
| Coordinates | 4125823.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H21 B N2 O2 |
|---|---|
| Calculated formula | C18 H21 B N2 O2 |
| Title of publication | Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules. |
| Authors of publication | Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| Journal volume | 139 |
| Journal issue | 7 |
| Pages of publication | 2710 - 2727 |
| a | 11.6218 ± 0.001 Å |
| b | 11.2692 ± 0.0009 Å |
| c | 13.6669 ± 0.001 Å |
| α | 90° |
| β | 100.367 ± 0.008° |
| γ | 90° |
| Cell volume | 1760.7 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1067 |
| Residual factor for significantly intense reflections | 0.0883 |
| Weighted residual factors for significantly intense reflections | 0.2279 |
| Weighted residual factors for all reflections included in the refinement | 0.2565 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 193178 (current) | 2017-03-04 | cif/ Adding structures of 4125823 via cif-deposit CGI script. |
4125823.cif |
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Users of the data should acknowledge the original authors of the
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