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Information card for entry 7117973
Preview
| Coordinates | 7117973.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | 6 in manuscript |
|---|---|
| Formula | C60 H50 B Cl8 F4 N2 O2 P2 Rh |
| Calculated formula | C60 H50 B Cl8 F4 N2 O2 P2 Rh |
| SMILES | [Rh]1234([P](c5c(cc(cc5)NC(=O)c5cc(Cl)cc(Cl)c5)c5c([P]1(c1ccccc1)c1ccccc1)ccc(c5)NC(=O)c1cc(Cl)cc(Cl)c1)(c1ccccc1)c1ccccc1)[CH]1=[CH]2CC[CH]3=[CH]4CC1.[B](F)(F)(F)[F-].C(Cl)Cl.C(Cl)Cl |
| Title of publication | 5,5'-Diamino-BIPHEP ligands bearing small selector units for non-covalent binding of chiral analytes in solution |
| Authors of publication | G. Storch; M. Siebert; F. Rominger; O. Trapp |
| Journal of publication | Chem.Commun. |
| Year of publication | 2015 |
| Journal volume | 51 |
| Pages of publication | 15665 |
| a | 32.934 ± 0.003 Å |
| b | 14.4798 ± 0.0013 Å |
| c | 52.282 ± 0.004 Å |
| α | 90° |
| β | 103.448 ± 0.002° |
| γ | 90° |
| Cell volume | 24249 ± 4 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 9 |
| 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 | 0.2205 |
| Residual factor for significantly intense reflections | 0.1959 |
| Weighted residual factors for significantly intense reflections | 0.3924 |
| Weighted residual factors for all reflections included in the refinement | 0.4066 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.134 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301857 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
7117973.cif |
| 169406 | 2015-10-21 | cif/ Adding structures of 7117973 via cif-deposit CGI script. |
7117973.cif |
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Users of the data should acknowledge the original authors of the
structural data.