Crystallography Open Database

Information card for entry 4116107

Preview

Coordinates	4116107.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H16 O2
Calculated formula	C24 H16 O2
SMILES	C1#Cc2cccc(C#CCOCC#Cc3cccc(C#CCOC1)c3)c2
Title of publication	A Simple Hybrid Cyclyne Consisting of 1,3-Diethynylbenzene and Ether Units: Synthesis and Novel Ag±Induced Cyclization Leading to the Perylene Skeleton Formation
Authors of publication	Yoshihiro Yamaguchi; Shigeya Kobayashi; Tateaki Wakamiya; Yoshio Matsubara; Zen-ichi Yoshida
Journal of publication	Journal of the American Chemical Society
Year of publication	2000
Journal volume	122
Pages of publication	7404 - 7405
a	11.113 ± 0.001 Å
b	4.1207 ± 0.0006 Å
c	19.5511 ± 0.0008 Å
α	90°
β	101.064 ± 0.001°
γ	90°
Cell volume	878.67 ± 0.15 Å³
Cell temperature	295.2 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 significantly intense reflections	0.0512
Weighted residual factors for all reflections included in the refinement	0.1548
Goodness-of-fit parameter for all reflections included in the refinement	1.204
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4116107.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4116107.cif
70685	2013-01-03	cif/ Adding structures of 4116107 via cif-deposit CGI script.	4116107.cif