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Information card for entry 4347854
Preview
| Coordinates | 4347854.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C88 H76 N8 O20 Sm4 |
|---|---|
| Calculated formula | C88 H76 N8 O20 Sm4 |
| Title of publication | Efficient Ni(II)2Ln(III)2 Electrocyclization Catalysts for the Synthesis of trans-4,5-Diaminocyclopent-2-enones from 2-Furaldehyde and Primary or Secondary Amines. |
| Authors of publication | Griffiths, Kieran; Kumar, Prashant; Mattock, James D.; Abdul-Sada, Alaa; Pitak, Mateusz B.; Coles, Simon J.; Navarro, Oscar; Vargas, Alfredo; Kostakis, George E. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2016 |
| Journal volume | 55 |
| Journal issue | 14 |
| Pages of publication | 6988 - 6994 |
| a | 12.8651 ± 0.0012 Å |
| b | 13.5435 ± 0.0012 Å |
| c | 14.0419 ± 0.0012 Å |
| α | 100.536 ± 0.007° |
| β | 106.682 ± 0.008° |
| γ | 114.818 ± 0.008° |
| Cell volume | 1993.6 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0303 |
| Residual factor for significantly intense reflections | 0.0246 |
| Weighted residual factors for significantly intense reflections | 0.0582 |
| Weighted residual factors for all reflections included in the refinement | 0.0604 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4347854.cif |
| 232541 | 2019-11-23 | cif/ Adding structures of 4347853, 4347854, 4347855, 4347856, 4347857, 4347858, 4347859 via cif-deposit CGI script. |
4347854.cif |
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Users of the data should acknowledge the original authors of the
structural data.