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Information card for entry 4088309
Preview
| Coordinates | 4088309.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | DAC-9BBN (3) |
|---|---|
| Formula | C38 H49 B N2 O2 |
| Calculated formula | C38 H49 B N2 O2 |
| SMILES | O=C1N(c2c(cc(cc2C)C)C)C(N(c2c(C)cc(cc2C)C)C(=O)C1(C)C)B1C2CCCC1CCC2.c1ccccc1 |
| Title of publication | Diamidocarbene Induced B–H Activation: A New Class of Initiator-Free Olefin Hydroboration Reagents |
| Authors of publication | Lastovickova, Dominika N.; Bielawski, Christopher W. |
| Journal of publication | Organometallics |
| Year of publication | 2016 |
| Journal volume | 35 |
| Journal issue | 5 |
| Pages of publication | 706 |
| a | 8.172 ± 0.005 Å |
| b | 16.783 ± 0.008 Å |
| c | 12.13 ± 0.007 Å |
| α | 90° |
| β | 100.44 ± 0.02° |
| γ | 90° |
| Cell volume | 1636.1 ± 1.6 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 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 | 0.0639 |
| Residual factor for significantly intense reflections | 0.0526 |
| Weighted residual factors for significantly intense reflections | 0.1457 |
| Weighted residual factors for all reflections included in the refinement | 0.1533 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| 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. |
4088309.cif |
| 237453 | 2019-11-24 | cif/ Adding structures of 4088305, 4088306, 4088307, 4088308, 4088309, 4088310, 4088311, 4088312, 4088313, 4088314 via cif-deposit CGI script. |
4088309.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.