Information card for entry 2017930
Chemical name |
3-[(<i>E</i>)-1,3-dimethyl-5,6,7,8-tetrahydro-4<i>H</i>- cyclohepta[<i>c</i>]furan-4-ylidene]-4-isopropylidenetetrahydrofuran-2,5-dione |
Formula |
C18 H20 O4 |
Calculated formula |
C18 H20 O4 |
SMILES |
O1C(=O)/C(C(C1=O)=C(C)C)=C1/c2c(oc(c2CCCC1)C)C |
Title of publication |
Rotationally-hindered furyl fulgides |
Authors of publication |
Strübe, Frank; Mattay, Jochen; Neumann, Beate; Stammler, Hans-Georg |
Journal of publication |
Acta Crystallographica Section C |
Year of publication |
2011 |
Journal volume |
67 |
Journal issue |
1 |
Pages of publication |
o33 - o36 |
a |
9.1881 ± 0.0002 Å |
b |
12.0022 ± 0.0003 Å |
c |
13.7215 ± 0.0003 Å |
α |
90° |
β |
100.433 ± 0.0013° |
γ |
90° |
Cell volume |
1488.16 ± 0.06 Å3 |
Cell temperature |
100 ± 2 K |
Ambient diffraction temperature |
100 ± 2 K |
Number of distinct elements |
3 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/n 1 |
Hall space group symbol |
-P 2yn |
Residual factor for all reflections |
0.0451 |
Residual factor for significantly intense reflections |
0.0349 |
Weighted residual factors for significantly intense reflections |
0.0861 |
Weighted residual factors for all reflections included in the refinement |
0.0909 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.055 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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