Information card for entry 2213114
Chemical name |
(2<i>E</i>,5<i>E</i>)-2,5-Bis(2,3,4-trimethoxybenzylidene)cyclopentanone |
Formula |
C25 H28 O7 |
Calculated formula |
C25 H28 O7 |
SMILES |
O(c1c(OC)c(OC)c(cc1)/C=C\1C(=O)/C(=C/c2c(OC)c(OC)c(OC)cc2)CC1)C |
Title of publication |
(2<i>E</i>,5<i>E</i>)-2,5-Bis(2,3,4-trimethoxybenzylidene)cyclopentanone |
Authors of publication |
Du, Zhi-Yun; Zhang, Kun; Ng, Seik Weng |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2007 |
Journal volume |
63 |
Journal issue |
5 |
Pages of publication |
o2595 - o2596 |
a |
12.6636 ± 0.0006 Å |
b |
15.4927 ± 0.0008 Å |
c |
19.297 ± 0.001 Å |
α |
108.089 ± 0.001° |
β |
95.412 ± 0.001° |
γ |
111.242 ± 0.001° |
Cell volume |
3261.7 ± 0.3 Å3 |
Cell temperature |
173 ± 2 K |
Ambient diffraction temperature |
173 ± 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 |
0.1208 |
Residual factor for significantly intense reflections |
0.0512 |
Weighted residual factors for significantly intense reflections |
0.1214 |
Weighted residual factors for all reflections included in the refinement |
0.1584 |
Goodness-of-fit parameter for all reflections included in the refinement |
0.956 |
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/2213114.html