Crystallography Open Database

Information card for entry 7239027

Preview

Coordinates	7239027.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H23 Cl4 Fe O4
Calculated formula	C26 H23 Cl4 Fe O4
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	7.772 ± 0.006 Å
b	19.769 ± 0.016 Å
c	17.515 ± 0.014 Å
α	90°
β	92.98 ± 0.01°
γ	90°
Cell volume	2687 ± 4 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0981
Residual factor for significantly intense reflections	0.0479
Weighted residual factors for significantly intense reflections	0.1068
Weighted residual factors for all reflections included in the refinement	0.1264
Goodness-of-fit parameter for all reflections included in the refinement	0.999
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.	7239027.cif