Crystallography Open Database

Information card for entry 7155614

Preview

Coordinates	7155614.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13.5 H11 B0.5 F N O0.5
Calculated formula	C13.5 H11 B0.5 F N O0.5
Title of publication	BODIPY blocked anthroxyl radicals: the substituent effect on reactivity and fluorescence turn-on detection of a hydroxyl radical.
Authors of publication	Miao, Fang; Lim, Zheng Long; Hu, Pan; Dong, Shaoqiang; Qi, Qingbiao; Zhang, Xiaojie; Wu, Jishan
Journal of publication	Organic & biomolecular chemistry
Year of publication	2017
Journal volume	15
Journal issue	15
Pages of publication	3188 - 3191
a	15.1844 ± 0.0005 Å
b	20.725 ± 0.0006 Å
c	6.8775 ± 0.0002 Å
α	90°
β	100.961 ± 0.001°
γ	90°
Cell volume	2124.84 ± 0.11 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0501
Residual factor for significantly intense reflections	0.045
Weighted residual factors for significantly intense reflections	0.1214
Weighted residual factors for all reflections included in the refinement	0.1271
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
196256 (current)	2017-05-05	cif/ Adding structures of 7155614, 7155615 via cif-deposit CGI script.	7155614.cif