Information card for entry 2209817
Chemical name |
5-tert-Butyl-3-{[6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2- dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yloxy]methyl}-2- hydroxybenzaldehyde |
Formula |
C24 H34 O8 |
Calculated formula |
C24 H34 O8 |
SMILES |
O1[C@@H]([C@@H]2OC(O[C@@H]2[C@@H]1OCc1c(O)c(cc(c1)C(C)(C)C)C=O)(C)C)[C@@H]1OC(OC1)(C)C |
Title of publication |
5-<i>tert</i>-Butyl-3-{[6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyltetrahydrofuro[3,4-<i>d</i>][1,3]dioxol-4-yloxy]methyl}-2-hydroxybenzaldehyde |
Authors of publication |
Zhao, Shan-Shan; Zhao, Ji-Quan; Li, Jian-Xun; Wang, Qian; Zhao, Dong-Min |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2006 |
Journal volume |
62 |
Journal issue |
8 |
Pages of publication |
o3372 - o3373 |
a |
12.788 ± 0.0019 Å |
b |
6.7749 ± 0.001 Å |
c |
26.859 ± 0.004 Å |
α |
90° |
β |
92.118 ± 0.002° |
γ |
90° |
Cell volume |
2325.4 ± 0.6 Å3 |
Cell temperature |
113 ± 2 K |
Ambient diffraction temperature |
113 ± 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 |
0.0507 |
Residual factor for significantly intense reflections |
0.041 |
Weighted residual factors for significantly intense reflections |
0.0971 |
Weighted residual factors for all reflections included in the refinement |
0.1037 |
Goodness-of-fit parameter for all reflections included in the refinement |
0.999 |
Diffraction radiation wavelength |
0.7107 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/2209817.html