Crystallography Open Database

Information card for entry 7226047

Preview

Coordinates	7226047.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(5-Ethyl-2-hydroxyphenyl)(2'-hydroxy-[1,1':3',1''-terphenyl]-5'-yl)methanone
Formula	C27 H22 O3
Calculated formula	C27 H22 O3
Title of publication	Mild base-promoted benzannulation for the construction of polyfunctionalized m-terphenyl derivatives and their application as potent UV-filters
Authors of publication	Tamargo, Ramuel John Inductivo; Poudel, Tej Narayan; Lee, Yong Rok
Journal of publication	RSC Adv.
Year of publication	2016
Journal volume	6
Journal issue	74
Pages of publication	70311
a	12.4924 ± 0.0009 Å
b	8.6494 ± 0.0005 Å
c	20.0211 ± 0.0014 Å
α	90°
β	105.311 ± 0.004°
γ	90°
Cell volume	2086.5 ± 0.2 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1085
Residual factor for significantly intense reflections	0.0487
Weighted residual factors for significantly intense reflections	0.0968
Weighted residual factors for all reflections included in the refinement	0.1181
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
184669 (current)	2016-07-26	cif/ Adding structures of 7226047 via cif-deposit CGI script.	7226047.cif