Crystallography Open Database

Information card for entry 7111519

Preview

Coordinates	7111519.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H52 O2
Calculated formula	C34 H42 O2
Title of publication	CuCl-mediated tandem CO insertion and annulation of 1,4-dilithio-1,3-dienes: formation of multiply substituted cyclopentadienones and/or their head-to-head dimers
Authors of publication	Luo, Qian; Wang, Chao; Zhang, Wen-Xiong; Xi, Zhenfeng
Journal of publication	Chemical Communications
Year of publication	2008
Journal issue	13
Pages of publication	1593 - 1595
a	22.715 ± 0.005 Å
b	8.6051 ± 0.0017 Å
c	16.731 ± 0.003 Å
α	90°
β	109.25 ± 0.03°
γ	90°
Cell volume	3087.5 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1758
Residual factor for significantly intense reflections	0.0685
Weighted residual factors for significantly intense reflections	0.1558
Weighted residual factors for all reflections included in the refinement	0.1757
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
180229 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/15.	7111519.cif
96585	2014-01-29	cif/ Adding structures of 7111518, 7111519 via cif-deposit CGI script.	7111519.cif