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Information card for entry 4082463
Preview
| Coordinates | 4082463.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C48 H70 B Li O2 P2 |
|---|---|
| Calculated formula | C48 H70 B Li O2 P2 |
| Title of publication | Asymmetric Rhodium(I)-Catalyzed C–C Activations with Zwitterionic Bis-phospholane Ligands |
| Authors of publication | Parker, Evelyne; Cramer, Nicolai |
| Journal of publication | Organometallics |
| Year of publication | 2014 |
| Journal volume | 33 |
| Journal issue | 3 |
| Pages of publication | 780 |
| a | 18.2343 ± 0.0004 Å |
| b | 18.2343 ± 0.0004 Å |
| c | 11.9109 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 3429.68 ± 0.12 Å3 |
| Cell temperature | 140 ± 2 K |
| Ambient diffraction temperature | 140 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 144 |
| Hermann-Mauguin space group symbol | P 31 |
| Hall space group symbol | P 31 |
| Residual factor for all reflections | 0.048 |
| Residual factor for significantly intense reflections | 0.0473 |
| Weighted residual factors for significantly intense reflections | 0.1303 |
| Weighted residual factors for all reflections included in the refinement | 0.131 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.114 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
4082463.cif |
| 178713 | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/24. |
4082463.cif |
| 104412 | 2014-03-11 | cif/ Adding structures of 4082463, 4082464 via cif-deposit CGI script. |
4082463.cif |
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Users of the data should acknowledge the original authors of the
structural data.