Crystallography Open Database

Information card for entry 4511814

Preview

Coordinates	4511814.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H14 N2
Calculated formula	C20 H14 N2
Title of publication	Crystal Structures and Fluorescence Spectroscopic Properties of Cyano-Substituted Diphenylhexatrienes
Authors of publication	Sonoda, Yoriko; Goto, Midori; Norikane, Yasuo; Azumi, Reiko
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	9
Pages of publication	4781
a	18.46 ± 0.007 Å
b	4.0402 ± 0.0015 Å
c	19.941 ± 0.007 Å
α	90°
β	91.544 ± 0.004°
γ	90°
Cell volume	1486.7 ± 0.9 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 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	0.0801
Residual factor for significantly intense reflections	0.0506
Weighted residual factors for significantly intense reflections	0.1153
Weighted residual factors for all reflections included in the refinement	0.1282
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
179665 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/18.	4511814.cif
122854	2014-09-06	cif/ Updating files of 4511813, 4511814, 4511815 Original log message: Adding full bibliography for 4511813--4511815.cif.	4511814.cif
122362	2014-08-22	cif/ Adding structures of 4511814 via cif-deposit CGI script.	4511814.cif