Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7042902
Preview
| Coordinates | 7042902.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C34 H18 B F10 N O |
|---|---|
| Calculated formula | C34 H18 B F10 N O |
| SMILES | Fc1c(c(c(c(c1F)F)F)[B]1([NH](c2c(O1)c1ccccc1c1ccccc21)c1c(cccc1C)C)c1c(F)c(F)c(F)c(c1F)F)F |
| Title of publication | FLP reduction and hydroboration of phenanthrene o-iminoquinones and α-diimines. |
| Authors of publication | Bamford, Karlee L.; Longobardi, Lauren E.; Liu, Lei; Grimme, Stefan; Stephan, Douglas W. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2017 |
| Journal volume | 46 |
| Journal issue | 16 |
| Pages of publication | 5308 - 5319 |
| a | 9.7684 ± 0.0015 Å |
| b | 14.767 ± 0.003 Å |
| c | 19.986 ± 0.004 Å |
| α | 90° |
| β | 103.712 ± 0.006° |
| γ | 90° |
| Cell volume | 2800.8 ± 0.9 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.1345 |
| Residual factor for significantly intense reflections | 0.0542 |
| Weighted residual factors for significantly intense reflections | 0.1131 |
| Weighted residual factors for all reflections included in the refinement | 0.1546 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301850 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure. |
7042902.cif |
| 196242 | 2017-05-05 | cif/ Adding structures of 7042895, 7042896, 7042897, 7042898, 7042899, 7042900, 7042901, 7042902, 7042903, 7042904 via cif-deposit CGI script. |
7042902.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.