Information card for entry 1557691
Common name |
trans-3-(4-Acetoxy-3-methoxyphenyl)-8-acetyloxy-2-methyl-2,3-dihydro- 1,4-benzodioxine |
Formula |
C20 H20 O7 |
Calculated formula |
C20 H20 O7 |
SMILES |
O=C(C)Oc1ccc(cc1OC)[C@H]1Oc2c(O[C@@H]1C)c(OC(=O)C)ccc2.O=C(C)Oc1ccc(cc1OC)[C@@H]1Oc2c(O[C@H]1C)c(OC(=O)C)ccc2 |
Title of publication |
Synthesis and Crystal Structure of trans-3-(4-Acetoxy-3-methoxyphenyl)-8-acetyloxy-2-methyl-2,3-dihydro- 1,4-benzodioxine |
Authors of publication |
Lariucci, Carlito; Inumaru, Aurea Tamae; Barata, Lauro Euclides Soares; de Azevedo, Neucirio Ricardo; Ferri, Pedro Henrique |
Journal of publication |
Acta Chemica Scandinavica |
Year of publication |
1996 |
Journal volume |
50 |
Pages of publication |
1025 - 1029 |
a |
11.524 ± 0.002 Å |
b |
11.959 ± 0.002 Å |
c |
14.284 ± 0.001 Å |
α |
90° |
β |
109.14 ± 0.01° |
γ |
90° |
Cell volume |
1859.7 ± 0.5 Å3 |
Ambient diffraction temperature |
293 K |
Number of distinct elements |
3 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/a 1 |
Hall space group symbol |
-P 2yab |
Residual factor for significantly intense reflections |
0.059 |
Diffraction radiation probe |
x-ray |
Diffraction radiation wavelength |
0.71069 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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The link is:
https://www.crystallography.net/1557691.html