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Information card for entry 7042898
Preview
| Coordinates | 7042898.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C28 H24 N2 |
|---|---|
| Calculated formula | C28 H24 N2 |
| SMILES | N(c1c2ccccc2c2ccccc2c1Nc1ccc(C)cc1)c1ccc(C)cc1 |
| 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 | 20.763 ± 0.004 Å |
| b | 5.6764 ± 0.0009 Å |
| c | 35.74 ± 0.006 Å |
| α | 90° |
| β | 99.442 ± 0.011° |
| γ | 90° |
| Cell volume | 4155.2 ± 1.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.2337 |
| Residual factor for significantly intense reflections | 0.0834 |
| Weighted residual factors for significantly intense reflections | 0.1536 |
| Weighted residual factors for all reflections included in the refinement | 0.2149 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| 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. |
7042898.cif |
| 196242 | 2017-05-05 | cif/ Adding structures of 7042895, 7042896, 7042897, 7042898, 7042899, 7042900, 7042901, 7042902, 7042903, 7042904 via cif-deposit CGI script. |
7042898.cif |
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Users of the data should acknowledge the original authors of the
structural data.