Information card for entry 2233968
Chemical name |
1,3-Dioxo-2,3-dihydro-1<i>H</i>-isoindol-2-yl 2,3,4-tri-<i>O</i>-acetyl-β-D-xyloside |
Formula |
C19 H19 N O10 |
Calculated formula |
C19 H19 N O10 |
SMILES |
CC(=O)O[C@H]1CO[C@H](ON2C(=O)c3ccccc3C2=O)[C@@H](OC(=O)C)[C@@H]1OC(=O)C |
Title of publication |
1,3-Dioxo-2,3-dihydro-1<i>H</i>-isoindol-2-yl 2,3,4-tri-<i>O</i>-acetyl-β-<small>D</small>-xyloside |
Authors of publication |
Tian, Runan; Haoriqinbatu; Liu, Hongchang; Wang, Xiaoming; Yang, Yonghua |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2012 |
Journal volume |
68 |
Journal issue |
3 |
Pages of publication |
o635 |
a |
11.722 ± 0.002 Å |
b |
9.227 ± 0.0018 Å |
c |
19.615 ± 0.004 Å |
α |
90° |
β |
104.52 ± 0.03° |
γ |
90° |
Cell volume |
2053.8 ± 0.7 Å3 |
Cell temperature |
295 ± 2 K |
Ambient diffraction temperature |
295 ± 2 K |
Number of distinct elements |
4 |
Space group number |
4 |
Hermann-Mauguin space group symbol |
P 1 21 1 |
Hall space group symbol |
P 2yb |
Residual factor for all reflections |
0.0723 |
Residual factor for significantly intense reflections |
0.0474 |
Weighted residual factors for significantly intense reflections |
0.1182 |
Weighted residual factors for all reflections included in the refinement |
0.1312 |
Goodness-of-fit parameter for all reflections included in the refinement |
1 |
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/2233968.html