Information card for entry 4068228
| Formula |
C41 H33 I P2 |
| Calculated formula |
C41 H33 I P2 |
| SMILES |
[I-].[P+](C1=CC(=P(c2ccccc2)(c2ccccc2)c2ccccc2)C=C1)(c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication |
1,3-Diphosphorus Ylide Cyclopentadienylium Salts: Synthesis, Structures, and Application in Coupling Reactions |
| Authors of publication |
Xu, Chen; Wang, Zhi-Qiang; Li, Zhen; Wang, Wei-Zhou; Hao, Xin-Qi; Fu, Wei-Jun; Gong, Jun-Fang; Ji, Bao-Ming; Song, Mao-Ping |
| Journal of publication |
Organometallics |
| Year of publication |
2012 |
| Journal volume |
31 |
| Journal issue |
3 |
| Pages of publication |
798 |
| a |
9.639 ± 0.01 Å |
| b |
10.843 ± 0.012 Å |
| c |
16.575 ± 0.018 Å |
| α |
102.184 ± 0.016° |
| β |
101.811 ± 0.017° |
| γ |
94.941 ± 0.017° |
| Cell volume |
1642 ± 3 Å3 |
| Cell temperature |
295 ± 2 K |
| Ambient diffraction temperature |
295 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.1309 |
| Residual factor for significantly intense reflections |
0.0568 |
| Weighted residual factors for significantly intense reflections |
0.1126 |
| Weighted residual factors for all reflections included in the refinement |
0.1501 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.955 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/4068228.html
