Information card for entry 2221698
Chemical name |
(<i>S</i>)-(-)-5,5'-Bis(diphenylphosphino)-4,4'-bi-1,3-benzodioxole |
Formula |
C38 H28 O4 P2 |
Calculated formula |
C38 H28 O4 P2 |
SMILES |
P(c1ccc2OCOc2c1c1c(P(c2ccccc2)c2ccccc2)ccc2OCOc12)(c1ccccc1)c1ccccc1 |
Title of publication |
(<i>S</i>)-({-})-5,5'-Bis(diphenylphosphino)-4,4'-bi-1,3-benzodioxole |
Authors of publication |
Jian, Ling-Yan; He, Xiao-Jing; Sun, Ya-Xin; Jiang, Qing-Hua; Zhu, Xu |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2009 |
Journal volume |
65 |
Journal issue |
5 |
Pages of publication |
o1153 |
a |
10.4735 ± 0.001 Å |
b |
15.8362 ± 0.0015 Å |
c |
18.7349 ± 0.0017 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
3107.4 ± 0.5 Å3 |
Cell temperature |
295 K |
Ambient diffraction temperature |
295 K |
Number of distinct elements |
4 |
Space group number |
19 |
Hermann-Mauguin space group symbol |
P 21 21 21 |
Hall space group symbol |
P 2ac 2ab |
Residual factor for all reflections |
0.0448 |
Residual factor for significantly intense reflections |
0.0343 |
Weighted residual factors for significantly intense reflections |
0.077 |
Weighted residual factors for all reflections included in the refinement |
0.0825 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.026 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/2221698.html