Crystallography Open Database

Information card for entry 1515707

Preview

Coordinates	1515707.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H8 N2
Calculated formula	C16 H8 N2
SMILES	N#Cc1c2ccccc2c(c2c1cccc2)C#N
Title of publication	Preparation, characterization, physical properties, and photoconducting behaviour of anthracene derivative nanowires.
Authors of publication	Xiao, Jinchong; Yin, Zongyou; Yang, Bo; Liu, Yi; Ji, Li; Guo, Jun; Huang, Ling; Liu, Xuewei; Yan, Qingyu; Zhang, Hua; Zhang, Qichun
Journal of publication	Nanoscale
Year of publication	2011
Journal volume	3
Journal issue	11
Pages of publication	4720 - 4723
a	3.7976 ± 0.0001 Å
b	8.3908 ± 0.0003 Å
c	9.0986 ± 0.0003 Å
α	72.193 ± 0.002°
β	78.465 ± 0.002°
γ	89.756 ± 0.002°
Cell volume	269.958 ± 0.015 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 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	0.0969
Residual factor for significantly intense reflections	0.0534
Weighted residual factors for significantly intense reflections	0.1449
Weighted residual factors for all reflections included in the refinement	0.1814
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
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.	1515707.cif
111982	2014-04-28	cif/ Adding structures of 1515707 via cif-deposit CGI script.	1515707.cif