Information card for entry 1503963
Chemical name |
(1aR,2R,3R,3aS,7aR,7bS)-3-(4-Methoxy-benzyloxy)-2- methoxymethyl-1a,3,3a,7,7a,7b-hexahydro-2H-1-oxa- cyclopropa[a]naphthalen-4-one |
Formula |
C20 H24 O5 |
Calculated formula |
C20 H24 O5 |
SMILES |
O=C1C=CC[C@@H]2[C@H]1[C@H](OCc1ccc(OC)cc1)[C@H]([C@H]1O[C@@H]21)COC |
Title of publication |
A desymmetrization approach toward highly oxygenated cis-decalins. |
Authors of publication |
Gromov, Alexey; Enev, Valentin; Mulzer, Johann |
Journal of publication |
Organic letters |
Year of publication |
2009 |
Journal volume |
11 |
Journal issue |
13 |
Pages of publication |
2884 - 2886 |
a |
6.9194 ± 0.0002 Å |
b |
7.8312 ± 0.0002 Å |
c |
30.9251 ± 0.0009 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
1675.74 ± 0.08 Å3 |
Cell temperature |
100 ± 2 K |
Ambient diffraction temperature |
100 ± 2 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 |
0.0339 |
Residual factor for significantly intense reflections |
0.031 |
Weighted residual factors for significantly intense reflections |
0.081 |
Weighted residual factors for all reflections included in the refinement |
0.083 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.021 |
Diffraction radiation wavelength |
0.71073 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/1503963.html