Information card for entry 2208377
Chemical name |
6-(Acetoxymethyl)-2-[(2R,3R,4R,5S)-3,4-diacetoxy-2,5-bis(chloromethyl)- 2,3,4,5-tetrahydrofuran-2-yloxy]-5-chloro-3,4,5,6-tetrahydro-2H-pyran-3,4-diyl diacetate toluene solvate |
Formula |
C29 H37 Cl3 O13 |
Calculated formula |
C29 H37 Cl3 O13 |
SMILES |
Cl[C@H]1[C@H](O[C@H](O[C@@]2(O[C@@H]([C@@H](OC(=O)C)[C@@H]2OC(=O)C)CCl)CCl)[C@H](OC(=O)C)[C@H]1OC(=O)C)COC(=O)C.Cc1ccccc1 |
Title of publication |
6-(Acetoxymethyl)-5-chloro-2-[(2<i>R</i>,3<i>R</i>,4<i>R</i>,5<i>S</i>)-3,4-diacetoxy-2,5-bis(chloromethyl)-2,3,4,5-tetrahydrofuran-2-yloxy]-3,4,5,6-tetrahydro-2<i>H</i>-pyran-3,4-diyl diacetate toluene solvate |
Authors of publication |
Hui-Liang Wen; Zhi-Jie Fang; Zi-Sheng Wu; Ming-Yong Xie |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2006 |
Journal volume |
62 |
Journal issue |
3 |
Pages of publication |
o1157 - o1159 |
a |
8.3693 ± 0.0013 Å |
b |
13.072 ± 0.002 Å |
c |
31.603 ± 0.005 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
3457.5 ± 0.9 Å3 |
Cell temperature |
294 ± 2 K |
Ambient diffraction temperature |
294 ± 2 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 |
0.138 |
Residual factor for significantly intense reflections |
0.0628 |
Weighted residual factors for significantly intense reflections |
0.1216 |
Weighted residual factors for all reflections included in the refinement |
0.153 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.091 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2208377.html