Information card for entry 2017929
Chemical name |
3-[(<i>E</i>)-1,3-dimethyl-4,5,6,7-tetrahydro-2-benzofuran-4-ylidene]-4- isopropylidenetetrahydrofuran-2,5-dione |
Formula |
C17 H18 O4 |
Calculated formula |
C17 H18 O4 |
SMILES |
O=C1OC(=O)C(/C1=C1/CCCc2c1c(oc2C)C)=C(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 |
8.7142 ± 0.0002 Å |
b |
12.0207 ± 0.0003 Å |
c |
13.9102 ± 0.0004 Å |
α |
90° |
β |
100.974 ± 0.0018° |
γ |
90° |
Cell volume |
1430.46 ± 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 |
0.0452 |
Residual factor for significantly intense reflections |
0.0369 |
Weighted residual factors for significantly intense reflections |
0.0928 |
Weighted residual factors for all reflections included in the refinement |
0.0986 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.019 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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