Information card for entry 2233635
Chemical name |
(4<i>Z</i>,6<i>Z</i>)-4,6-Bis(4-methoxybenzylidene)-2,2-dimethyl-1,3-dioxan-5- one |
Formula |
C22 H22 O5 |
Calculated formula |
C22 H22 O5 |
SMILES |
O1C(=C\c2ccc(OC)cc2)/C(=O)/C(=C/c2ccc(OC)cc2)OC1(C)C |
Title of publication |
(4<i>Z</i>,6<i>Z</i>)-4,6-Bis(4-methoxybenzylidene)-2,2-dimethyl-1,3-dioxan-5-one |
Authors of publication |
Mojtahedi, Mohammad M.; Massa, Werner; Abaee, M. Saeed; Mesbah, A. Wahid |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2012 |
Journal volume |
68 |
Journal issue |
2 |
Pages of publication |
o356 |
a |
9.24 ± 0.0007 Å |
b |
40.384 ± 0.004 Å |
c |
10.1643 ± 0.0008 Å |
α |
90° |
β |
91.988 ± 0.009° |
γ |
90° |
Cell volume |
3790.5 ± 0.6 Å3 |
Cell temperature |
193 ± 2 K |
Ambient diffraction temperature |
193 ± 2 K |
Number of distinct elements |
3 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/c 1 |
Hall space group symbol |
-P 2ybc |
Residual factor for all reflections |
0.0851 |
Residual factor for significantly intense reflections |
0.034 |
Weighted residual factors for significantly intense reflections |
0.0521 |
Weighted residual factors for all reflections included in the refinement |
0.0581 |
Goodness-of-fit parameter for all reflections included in the refinement |
0.866 |
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/2233635.html