Information card for entry 2217266
Chemical name |
3,4-Dicyanophenyl 2,3,4,6-tetra-O-acetyl-α-D-glucopyranoside |
Formula |
C22 H22 N2 O10 |
Calculated formula |
C22 H22 N2 O10 |
SMILES |
O(c1cc(C#N)c(C#N)cc1)[C@@H]1O[C@H]([C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C)COC(=O)C |
Title of publication |
3,4-Dicyanophenyl 2,3,4,6-tetra-<i>O</i>-acetyl-α-<small>D</small>-glucopyranoside |
Authors of publication |
Bin, Yuejing; Zhao, Fuqun; Zhang, Fushi; Wang, Ru-Ji |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2008 |
Journal volume |
64 |
Journal issue |
1 |
Pages of publication |
o63 - o63 |
a |
8.175 ± 0.002 Å |
b |
10.2076 ± 0.001 Å |
c |
29.562 ± 0.006 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
2466.9 ± 0.8 Å3 |
Cell temperature |
295 ± 2 K |
Ambient diffraction temperature |
295 ± 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 |
0.1234 |
Residual factor for significantly intense reflections |
0.0591 |
Weighted residual factors for significantly intense reflections |
0.0957 |
Weighted residual factors for all reflections included in the refinement |
0.1123 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.063 |
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/2217266.html