Crystallography Open Database

Information card for entry 4511813

Preview

Coordinates	4511813.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	3.9187 ± 0.0003 Å
b	11.9054 ± 0.001 Å
c	16.2554 ± 0.0014 Å
α	100.98 ± 0.001°
β	91.214 ± 0.001°
γ	94.833 ± 0.001°
Cell volume	741.31 ± 0.11 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0457
Residual factor for significantly intense reflections	0.0366
Weighted residual factors for significantly intense reflections	0.0999
Weighted residual factors for all reflections included in the refinement	0.1056
Goodness-of-fit parameter for all reflections included in the refinement	0.962
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
288466 (current)	2023-12-21	Changed data name '_shelx1_res_file' to '_shelx_res_file' in entry 4511813.	4511813.cif
179665	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.	4511813.cif
122854	2014-09-06	cif/ Updating files of 4511813, 4511814, 4511815 Original log message: Adding full bibliography for 4511813--4511815.cif.	4511813.cif
122361	2014-08-22	cif/ Adding structures of 4511813 via cif-deposit CGI script.	4511813.cif