Information card for entry 2207783
Chemical name |
2-Phenyl-6-(p-tolylsulfanyl)-4,4a,6,7,8,8a-hexahydro-2H- pyrano[3,2-d][1,3]dioxine-7,8-diyl diacetate |
Formula |
C24 H26 O7 S |
Calculated formula |
C24 H26 O7 S |
SMILES |
S([C@@H]1O[C@H]2[C@@H](O[C@@H](OC2)c2ccccc2)[C@H](OC(=O)C)[C@H]1OC(=O)C)c1ccc(C)cc1 |
Title of publication |
2-Phenyl-6-(<i>p</i>-tolylsulfanyl)-4,4a,6,7,8,8a-hexahydro-2<i>H</i>-pyrano[3,2-<i>d</i>][1,3]dioxane-7,8-diyl diacetate |
Authors of publication |
Zhou, Feng-Yan; Zhou, Feng-Yan; Zhong, Jian-Hua |
Journal of publication |
Acta Crystallographica, Section E: Structure Reports Online |
Year of publication |
2006 |
Journal volume |
62 |
Journal issue |
1 |
Pages of publication |
o266 - o267 |
a |
5.653 ± 0.0007 Å |
b |
8.0292 ± 0.0009 Å |
c |
25.49 ± 0.003 Å |
α |
90° |
β |
90.906 ± 0.005° |
γ |
90° |
Cell volume |
1156.8 ± 0.2 Å3 |
Cell temperature |
295 ± 1 K |
Number of distinct elements |
4 |
Space group number |
4 |
Hermann-Mauguin space group symbol |
P 1 21 1 |
Hall space group symbol |
P 2yb |
Residual factor for significantly intense reflections |
0.088 |
Weighted residual factors for all reflections included in the refinement |
0.163 |
Goodness-of-fit parameter for all reflections included in the refinement |
1 |
Diffraction radiation wavelength |
0.7107 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/2207783.html