Information card for entry 2231699
Common name |
liina1 |
Chemical name |
rac-8a'-Methyl-3',4',8',8a'-tetrahydro-2'<i>H</i>-spiro[[1,3]dioxolane- 2,1'-naphthalen]-6'(7'<i>H</i>)-one |
Formula |
C13 H18 O3 |
Calculated formula |
C13 H18 O3 |
SMILES |
O=C1CCC2(C(=C1)CCCC12OCCO1)C |
Title of publication |
<i>rac</i>-8a'-Methyl-3',4',8',8a'-tetrahydro-2'<i>H</i>-spiro[[1,3]dioxolane-2,1'-naphthalen]-6'(7'<i>H</i>)-one |
Authors of publication |
Werner, Franz; Toon, Liina; Aav, Riina |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2011 |
Journal volume |
67 |
Journal issue |
9 |
Pages of publication |
o2460 |
a |
9.6841 ± 0.0015 Å |
b |
10.5515 ± 0.0014 Å |
c |
12.8717 ± 0.0019 Å |
α |
102.493 ± 0.004° |
β |
111.938 ± 0.004° |
γ |
98.665 ± 0.004° |
Cell volume |
1151.6 ± 0.3 Å3 |
Cell temperature |
200 ± 2 K |
Ambient diffraction temperature |
200 ± 2 K |
Number of distinct elements |
3 |
Space group number |
2 |
Hermann-Mauguin space group symbol |
P -1 |
Hall space group symbol |
-P 1 |
Residual factor for all reflections |
0.0499 |
Residual factor for significantly intense reflections |
0.0391 |
Weighted residual factors for significantly intense reflections |
0.0982 |
Weighted residual factors for all reflections included in the refinement |
0.106 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.052 |
Diffraction radiation wavelength |
0.71073 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/2231699.html