Crystallography Open Database

Information card for entry 1508213

Preview

Coordinates	1508213.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H16
Calculated formula	C26 H16
Title of publication	The synthesis, crystal structure and charge-transport properties of hexacene.
Authors of publication	Watanabe, Motonori; Chang, Yuan Jay; Liu, Shun-Wei; Chao, Ting-Han; Goto, Kenta; Islam, Md Minarul; Yuan, Chih-Hsien; Tao, Yu-Tai; Shinmyozu, Teruo; Chow, Tahsin J.
Journal of publication	Nature chemistry
Year of publication	2012
Journal volume	4
Journal issue	7
Pages of publication	574 - 578
a	6.306 ± 0.006 Å
b	7.697 ± 0.01 Å
c	16.48 ± 0.016 Å
α	98.77 ± 0.04°
β	91.25 ± 0.03°
γ	95.81 ± 0.05°
Cell volume	785.9 ± 1.5 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	2
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.1517
Weighted residual factors for all reflections included in the refinement	0.3608
Goodness-of-fit parameter for all reflections included in the refinement	1.908
Diffraction radiation wavelength	0.71075 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.	1508213.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1508213.cif
62759	2012-07-09	cif/ Adding structures of 1508213 via cif-deposit CGI script.	1508213.cif