Information card for entry 2230797
Chemical name |
3,5-Di-<i>O</i>-benzoyl-1,2-<i>O</i>-isopropylidene- α-D-<i>ribo</i>-hexos-3-ulo-1,4:3,6-difuranose |
Formula |
C23 H22 O8 |
Calculated formula |
C23 H22 O8 |
SMILES |
O=C(c1ccccc1)O[C@@H]1CO[C@]2([C@@H]1O[C@H]1[C@@H]2OC(O1)(C)C)OC(=O)c1ccccc1 |
Title of publication |
3,5-Di-<i>O</i>-benzoyl-1,2-<i>O</i>-isopropylidene-α-<small>D</small>-<i>ribo</i>-hexos-3-ulo-1,4:3,6-difuranose |
Authors of publication |
Zhang, Qiurong; Chen, Xuebin; Zhu, Nan; Jiang, Tengfei; Liu, Hongmin |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2011 |
Journal volume |
67 |
Journal issue |
7 |
Pages of publication |
o1800 |
a |
6.05837 ± 0.0001 Å |
b |
8.33827 ± 0.00014 Å |
c |
40.9992 ± 0.0007 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
2071.13 ± 0.06 Å3 |
Cell temperature |
291 ± 2 K |
Ambient diffraction temperature |
291 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 |
0.0376 |
Residual factor for significantly intense reflections |
0.0364 |
Weighted residual factors for significantly intense reflections |
0.0926 |
Weighted residual factors for all reflections included in the refinement |
0.0937 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.061 |
Diffraction radiation wavelength |
1.5418 Å |
Diffraction radiation type |
CuKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2230797.html