Crystallography Open Database

Information card for entry 1518563

Preview

Coordinates	1518563.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H48 F6 N4 O5
Calculated formula	C60 H48 F6 N4 O5
Title of publication	Optical Behavior of Substituted 4-(2'-Hydroxyphenyl)imidazoles.
Authors of publication	Jeżewski, Artur; Hammann, Tommy; Cywiński, Piotr J; Gryko, Daniel T.
Journal of publication	The journal of physical chemistry. B
Year of publication	2015
Journal volume	119
Journal issue	6
Pages of publication	2507 - 2514
a	16.6424 ± 0.0006 Å
b	9.314 ± 0.0003 Å
c	17.808 ± 0.0007 Å
α	90°
β	99.221 ± 0.002°
γ	90°
Cell volume	2724.7 ± 0.17 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
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	0.1677
Residual factor for significantly intense reflections	0.1504
Weighted residual factors for significantly intense reflections	0.4373
Weighted residual factors for all reflections included in the refinement	0.4836
Goodness-of-fit parameter for all reflections included in the refinement	1.963
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	1518563.cif
132956	2015-03-04	cif/ Updating files of 1518562, 1518563 Original log message: Adding full bibliography for 1518562--1518563.cif.	1518563.cif
129925	2015-01-17	cif/ Adding structures of 1518563 via cif-deposit CGI script.	1518563.cif