Crystallography Open Database

Information card for entry 1505870

Preview

Coordinates	1505870.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H34
Calculated formula	C30 H34
SMILES	CCCCCCC#Cc1c2ccccc2c(c2c1cccc2)C#CCCCCCC
Title of publication	Synthesis and characterization of soluble oligo (9,10-bisalkynylanthrylene)s.
Authors of publication	Cui, Weibin; Zhang, Xiaojie; Jiang, Xiaoxia; Tian, Hongkun; Yan, Donghang; Geng, Yanhou; Jing, Xiabin; Wang, Fosong
Journal of publication	Organic letters
Year of publication	2006
Journal volume	8
Journal issue	4
Pages of publication	785 - 788
a	7.7874 ± 0.0007 Å
b	9.2435 ± 0.0009 Å
c	9.3529 ± 0.0009 Å
α	108.87 ± 0.002°
β	107.825 ± 0.002°
γ	95.669 ± 0.002°
Cell volume	591.68 ± 0.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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 all reflections	0.0639
Residual factor for significantly intense reflections	0.0503
Weighted residual factors for significantly intense reflections	0.1439
Weighted residual factors for all reflections included in the refinement	0.1598
Goodness-of-fit parameter for all reflections included in the refinement	0.983
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.	1505870.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505870.cif
47808	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1505870 via cif-deposit CGI script.	1505870.cif