Crystallography Open Database

Information card for entry 4101129

Preview

Structure parameters

Formula	C13 H16 O4
Calculated formula	C13 H16 O4
SMILES	OC(=O)C(=C(/OCC)c1ccc(OC)cc1)/C
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
a	7.1779 ± 0.0004 Å
b	8.0341 ± 0.0001 Å
c	11.3321 ± 0.0004 Å
α	107.491 ± 0.0011°
β	90.231 ± 0.005°
γ	94.366 ± 0.006°
Cell volume	621.23 ± 0.04 Å³
Cell temperature	173.1 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4101129.html