Information card for entry 2225271
Chemical name |
6-{[(Benzyloxy)carbonyl]oxy}-2-methylhexahydropyrano[3,2-<i>d</i>][1,3]dioxin-7,8-diyl bis(chloroacetate) |
Formula |
C20 H22 Cl2 O10 |
Calculated formula |
C20 H22 Cl2 O10 |
SMILES |
ClCC(=O)O[C@H]1[C@@H](O[C@H]2[C@@H](O[C@@H](OC2)C)[C@@H]1OC(=O)CCl)OC(=O)OCc1ccccc1 |
Title of publication |
6-{[(Benzyloxy)carbonyl]oxy}-2-methylhexahydropyrano[3,2-<i>d</i>][1,3]dioxin-7,8-diyl bis(chloroacetate) |
Authors of publication |
Jasinski, Jerry P.; Butcher, Ray J.; Swamy, M. T.; Yathirajan, H. S.; Narayana, B. |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2010 |
Journal volume |
66 |
Journal issue |
3 |
Pages of publication |
o572 - o573 |
a |
8.178 ± 0.0001 Å |
b |
14.9165 ± 0.0003 Å |
c |
19.3555 ± 0.0004 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
2361.12 ± 0.07 Å3 |
Cell temperature |
200 ± 2 K |
Ambient diffraction temperature |
200 ± 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 |
0.0771 |
Residual factor for significantly intense reflections |
0.0397 |
Weighted residual factors for significantly intense reflections |
0.0752 |
Weighted residual factors for all reflections included in the refinement |
0.0835 |
Goodness-of-fit parameter for all reflections included in the refinement |
0.917 |
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/2225271.html