Crystallography Open Database

Information card for entry 8000089

Preview

Coordinates	8000089.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H10 F2 N2
Calculated formula	C18 H10 F2 N2
Title of publication	Crystal Structure of Light-induced Colored Species from Photochromic Dimer of 1,4-Bis(imidazolyl)tetrafluorobenzene
Authors of publication	Kikuchi, Azusa; Abe, Jiro
Journal of publication	Chemistry Letters
Year of publication	2005
Journal volume	34
Journal issue	11
Pages of publication	1552
a	4.9759 ± 0.0009 Å
b	17.655 ± 0.003 Å
c	15.299 ± 0.003 Å
α	90°
β	97.809 ± 0.009°
γ	90°
Cell volume	1331.5 ± 0.4 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
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	0.1342
Residual factor for significantly intense reflections	0.0939
Weighted residual factors for significantly intense reflections	0.2366
Weighted residual factors for all reflections included in the refinement	0.2653
Goodness-of-fit parameter for all reflections included in the refinement	0.975
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
211175 (current)	2018-09-26	cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8.	8000089.cif
176728	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 8.	8000089.cif
94245	2014-01-22	cif/ Adding structures of 8000089 via cif-deposit CGI script.	8000089.cif