Crystallography Open Database

Information card for entry 7239025

Preview

Coordinates	7239025.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H19 Cl4 Fe O2
Calculated formula	C24 H19 Cl4 Fe O2
Title of publication	Selective C‒C bond cleavage of cyclopentadiene rings assisted by ferric chloride to synthesize water-soluble pyrylium salts
Authors of publication	Ye, Junwei; Zhang, Xiangdong; Deng, Dai; Ning, Guiling; Liu, Tianqing; Zhuang, Meiling; Yang, Lijian; Gong, Weitao; Lin, Yuan
Journal of publication	RSC Advances
Year of publication	2013
Journal volume	3
Journal issue	22
Pages of publication	8232
a	13.319 ± 0.006 Å
b	18.375 ± 0.007 Å
c	19.555 ± 0.008 Å
α	90°
β	90°
γ	90°
Cell volume	4786 ± 3 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0819
Residual factor for significantly intense reflections	0.0413
Weighted residual factors for significantly intense reflections	0.0863
Weighted residual factors for all reflections included in the refinement	0.1038
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
244512 (current)	2019-11-28	cif/ Adding structures of 7239024, 7239025, 7239026, 7239027, 7239028 via cif-deposit CGI script.	7239025.cif