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Information card for entry 4081851
Preview
| Coordinates | 4081851.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C14 H20 B N |
|---|---|
| Calculated formula | C14 H20 B N |
| SMILES | [B@H]12[N]3(Cc4ccccc14)CCCC[C@@H]2CC3.[B@@H]12[N]3(Cc4ccccc14)CCCC[C@H]2CC3 |
| Title of publication | Electrophilic C–H Borylation and Related Reactions of B–H Boron Cations |
| Authors of publication | Prokofjevs, Aleksandrs; Jermaks, Janis; Borovika, Alina; Kampf, Jeff W.; Vedejs, Edwin |
| Journal of publication | Organometallics |
| Year of publication | 2013 |
| Journal volume | 32 |
| Journal issue | 22 |
| Pages of publication | 6701 |
| a | 20.341 ± 0.003 Å |
| b | 6.1762 ± 0.0009 Å |
| c | 19.118 ± 0.004 Å |
| α | 90° |
| β | 91.547 ± 0.018° |
| γ | 90° |
| Cell volume | 2400.9 ± 0.7 Å3 |
| Cell temperature | 85 ± 2 K |
| Ambient diffraction temperature | 85 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.064 |
| Residual factor for significantly intense reflections | 0.0518 |
| Weighted residual factors for significantly intense reflections | 0.1338 |
| Weighted residual factors for all reflections included in the refinement | 0.1455 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
4081851.cif |
| 178707 | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/18. |
4081851.cif |
| 91782 | 2013-12-13 | cif/ Adding structures of 4081849, 4081850, 4081851 via cif-deposit CGI script. |
4081851.cif |
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Users of the data should acknowledge the original authors of the
structural data.