Information card for entry 2229240
Chemical name |
1,2,3,3',4',6'-Hexaacetyl-4,6-<i>O</i>-benzylidenesucrose |
Formula |
C31 H38 O17 |
Calculated formula |
C31 H38 O17 |
SMILES |
O([C@H]1O[C@H]2[C@@H](O[C@@H](OC2)c2ccccc2)[C@H](OC(=O)C)[C@H]1OC(=O)C)[C@@]1(O[C@@H]([C@@H](OC(=O)C)[C@@H]1OC(=O)C)COC(=O)C)COC(=O)C |
Title of publication |
1,2,3,3',4',6'-Hexaacetyl-4,6-<i>O</i>-benzylidenesucrose |
Authors of publication |
Brito-Arias, Marco A.; Soto-Ortega, Miguel; García-Báez, Efrén V. |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2011 |
Journal volume |
67 |
Journal issue |
2 |
Pages of publication |
o486 |
a |
8.2018 ± 0.0002 Å |
b |
18.6416 ± 0.0003 Å |
c |
22.0994 ± 0.0005 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
3378.88 ± 0.12 Å3 |
Cell temperature |
293 K |
Ambient diffraction temperature |
293 ± 2 K |
Number of distinct elements |
3 |
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 |
0.0457 |
Residual factor for significantly intense reflections |
0.0361 |
Weighted residual factors for significantly intense reflections |
0.0871 |
Weighted residual factors for all reflections included in the refinement |
0.0909 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.025 |
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/2229240.html