Crystallography Open Database

Information card for entry 1515708

Preview

Coordinates	1515708.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H16 O3
Calculated formula	C17 H16 O3
SMILES	O(c1ccc(cc1)/C=C/C(=O)Oc1ccccc1C)C
Title of publication	Photoexcited triplet states of new UV absorbers, cinnamic acid 2-methylphenyl esters.
Authors of publication	Kikuchi, Azusa; Saito, Haruo; Mori, Masao; Yagi, Mikio
Journal of publication	Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology
Year of publication	2011
Journal volume	10
Journal issue	12
Pages of publication	1902 - 1909
a	11.979 ± 0.013 Å
b	7.958 ± 0.008 Å
c	15.235 ± 0.016 Å
α	90°
β	104.894 ± 0.013°
γ	90°
Cell volume	1404 ± 3 Å³
Cell temperature	90 K
Ambient diffraction temperature	90 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	0.0381
Residual factor for significantly intense reflections	0.0315
Weighted residual factors for significantly intense reflections	0.0805
Weighted residual factors for all reflections included in the refinement	0.0856
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1515708.cif
111987	2014-04-28	cif/ Adding structures of 1515708 via cif-deposit CGI script.	1515708.cif