Crystallography Open Database

Information card for entry 7239028

Preview

Coordinates	7239028.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H25 Cl4 Fe O3
Calculated formula	C29 H25 Cl4 Fe O3
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	10.487 ± 0.0006 Å
b	32.446 ± 0.002 Å
c	9.5526 ± 0.0005 Å
α	90°
β	107.715 ± 0.004°
γ	90°
Cell volume	3096.3 ± 0.3 Å³
Cell temperature	275 ± 2 K
Ambient diffraction temperature	275 ± 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	0.1069
Residual factor for significantly intense reflections	0.0584
Weighted residual factors for significantly intense reflections	0.1643
Weighted residual factors for all reflections included in the refinement	0.1943
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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.	7239028.cif