Information card for entry 2211969
Chemical name |
3-Formylphenyl-2,3,4,6-tetra-O-acetyl-β-D-glucopyranoside |
Formula |
C21 H24 O11 |
Calculated formula |
C21 H24 O11 |
SMILES |
O([C@@H]1O[C@@H]([C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C)COC(=O)C)c1cccc(c1)C=O |
Title of publication |
3-Formylphenyl-2,3,4,6-tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranoside |
Authors of publication |
Burkhardt, Anja; Buchholz, Axel; Görls, Helmar; Plass, Winfried |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2007 |
Journal volume |
63 |
Journal issue |
1 |
Pages of publication |
o387 - o388 |
a |
11.126 ± 0.002 Å |
b |
8.0199 ± 0.0016 Å |
c |
12.414 ± 0.003 Å |
α |
90° |
β |
101.15 ± 0.03° |
γ |
90° |
Cell volume |
1086.8 ± 0.4 Å3 |
Cell temperature |
183 ± 2 K |
Ambient diffraction temperature |
183 ± 2 K |
Number of distinct elements |
3 |
Space group number |
4 |
Hermann-Mauguin space group symbol |
P 1 21 1 |
Hall space group symbol |
P 2yb |
Residual factor for all reflections |
0.0581 |
Residual factor for significantly intense reflections |
0.038 |
Weighted residual factors for significantly intense reflections |
0.0808 |
Weighted residual factors for all reflections included in the refinement |
0.0893 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.047 |
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/2211969.html