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Information card for entry 4060434
Preview
| Coordinates | 4060434.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C94 H69 B F24 P2 Ru |
|---|---|
| Calculated formula | C94 H69 B F24 P2 Ru |
| SMILES | [Ru]12345([P](c6ccccc6)(c6ccccc6)c6ccccc6)([P](c6ccccc6)(c6ccccc6)CC6CC(C=56)=C5c6c(cccc6)c6c5cccc6)[cH]5[cH]1[cH]2[c]13[c]45cccc1.c1(cc(cc(c1)C(F)(F)F)C(F)(F)F)[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F.CCCCC |
| Title of publication | Intramolecular [2+2] Cycloaddition of Allyl C=C and Allenylidene Cα=Cβ Bond: Formation and Deprotonation of Cyclobutylidene Rings |
| Authors of publication | J. Díez; M. P. Gamasa; J. Gimeno; E. Lastra; A. Villar |
| Journal of publication | Organometallics |
| Year of publication | 2005 |
| a | 13.2888 ± 0.0001 Å |
| b | 24.3673 ± 0.0002 Å |
| c | 25.4806 ± 0.0002 Å |
| α | 90° |
| β | 99.063 ± 0.001° |
| γ | 90° |
| Cell volume | 8147.92 ± 0.11 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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