Crystallography Open Database

Information card for entry 4116108

Preview

Coordinates	4116108.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H16 O2
Calculated formula	C24 H16 O2
SMILES	c12c3c4c(c5c6c(cc7c5c3ccc7)COC6)cccc4cc1COC2
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	9.344 ± 0.002 Å
b	6.3811 ± 0.0009 Å
c	13.484 ± 0.001 Å
α	90°
β	102.601 ± 0.008°
γ	90°
Cell volume	784.6 ± 0.2 Å³
Cell temperature	293.2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.0501
Weighted residual factors for all reflections included in the refinement	0.1458
Goodness-of-fit parameter for all reflections included in the refinement	1.202
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.	4116108.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4116108.cif
70686	2013-01-03	cif/ Adding structures of 4116108 via cif-deposit CGI script.	4116108.cif