Information card for entry 2010862
Formula |
C18 H24 O3 S |
Calculated formula |
C18 H24 O3 S |
SMILES |
S(c1ccccc1)CC(C)(C)[C@@H]1OC(O[C@H]1C#CCO)(C)C |
Title of publication |
(+)-3-{(4<i>S</i>,5<i>S</i>)-5-[1,1-Dimethyl-2-(phenylthio)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl}prop-2-yn-1-ol |
Authors of publication |
Hosomi, Hiroyuki; Ohba, Shigeru; Ohmori, Ken; Obitsu, Tetsuo; Ogawa, Yasuyuki; Ishikawa, Yuichi; Yamamura, Shosuke; Nishiyama, Shigeru |
Journal of publication |
Acta Crystallographica Section C |
Year of publication |
2000 |
Journal volume |
56 |
Journal issue |
4 |
Pages of publication |
e142 - e143 |
a |
8.76 ± 0.002 Å |
b |
32.09 ± 0.002 Å |
c |
6.269 ± 0.002 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
1762.3 ± 0.7 Å3 |
Cell temperature |
248 ± 1 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 significantly intense reflections |
0.04 |
Weighted residual factors for all reflections included in the refinement |
0.108 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.08 |
Diffraction radiation wavelength |
1.54184 Å |
Diffraction radiation type |
CuKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2010862.html