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Information card for entry 7042895
Preview
| Coordinates | 7042895.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C30 H28 N2 |
|---|---|
| Calculated formula | C30 H28 N2 |
| SMILES | N(c1c(Nc2c(C)cccc2C)c2ccccc2c2ccccc12)c1c(C)cccc1C |
| 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 | 8.401 ± 0.0006 Å |
| b | 9.7328 ± 0.0006 Å |
| c | 14.7598 ± 0.001 Å |
| α | 71.445 ± 0.002° |
| β | 79.849 ± 0.003° |
| γ | 86.645 ± 0.003° |
| Cell volume | 1126.19 ± 0.13 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0574 |
| Residual factor for significantly intense reflections | 0.0411 |
| Weighted residual factors for significantly intense reflections | 0.1127 |
| Weighted residual factors for all reflections included in the refinement | 0.1282 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| 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. |
7042895.cif |
| 196242 | 2017-05-05 | cif/ Adding structures of 7042895, 7042896, 7042897, 7042898, 7042899, 7042900, 7042901, 7042902, 7042903, 7042904 via cif-deposit CGI script. |
7042895.cif |
All data in the COD and the database itself are dedicated to the
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.
Users of the data should acknowledge the original authors of the
structural data.