Information card for entry 2017931
Chemical name |
3-[(<i>Z</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)=C1c2c(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 |
8.7024 ± 0.0002 Å |
b |
12.8964 ± 0.0004 Å |
c |
26.9492 ± 0.0007 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
3024.5 ± 0.14 Å3 |
Cell temperature |
100 ± 2 K |
Ambient diffraction temperature |
100 ± 2 K |
Number of distinct elements |
3 |
Space group number |
61 |
Hermann-Mauguin space group symbol |
P b c a |
Hall space group symbol |
-P 2ac 2ab |
Residual factor for all reflections |
0.0542 |
Residual factor for significantly intense reflections |
0.0377 |
Weighted residual factors for significantly intense reflections |
0.0885 |
Weighted residual factors for all reflections included in the refinement |
0.0965 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.033 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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