Information card for entry 7200794
| Chemical name |
Bis(S-N-(1-phenylethyl)-2,5-dihdyropyrrolo)tetrathiafulvalene |
| Formula |
C26 H26 N2 S4 |
| Calculated formula |
C26 H26 N2 S4 |
| SMILES |
S1C(SC2=C1CN(C2)[C@@H](C)c1ccccc1)=C1SC2=C(S1)CN(C2)[C@@H](C)c1ccccc1 |
| Title of publication |
Novel enantiopure bis(pyrrolo)tetrathiafulvalene donors exhibiting chiral crystal packing arrangements |
| Authors of publication |
Yang, Songjie; Brooks, Andrew C.; Martin, Lee; Day, Peter; Li, Hongchao; Horton, Peter; Male, Louise; Wallis, John D. |
| Journal of publication |
CrystEngComm |
| Year of publication |
2009 |
| Journal volume |
11 |
| Journal issue |
6 |
| Pages of publication |
993 |
| a |
5.9951 ± 0.0012 Å |
| b |
6.5877 ± 0.0013 Å |
| c |
15.83 ± 0.003 Å |
| α |
86.69 ± 0.03° |
| β |
83.08 ± 0.03° |
| γ |
76.01 ± 0.03° |
| Cell volume |
602 ± 0.2 Å3 |
| Cell temperature |
120 ± 2 K |
| Ambient diffraction temperature |
120 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
1 |
| Hermann-Mauguin space group symbol |
P 1 |
| Hall space group symbol |
P 1 |
| Residual factor for all reflections |
0.0467 |
| Residual factor for significantly intense reflections |
0.044 |
| Weighted residual factors for significantly intense reflections |
0.123 |
| Weighted residual factors for all reflections included in the refinement |
0.125 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.302 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/7200794.html
