Crystallography Open Database

Information card for entry 1551477

Preview

Coordinates	1551477.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	20180713-A2
Formula	C48 H32 F2 N4
Calculated formula	C48 H32 F2 N4
SMILES	Fc1c(/C=C/c2cc(N(c3ccccc3)c3ccccc3)c(cc2N(c2ccccc2)c2ccccc2)/C=C/c2ccc(cc2F)C#N)ccc(c1)C#N
Title of publication	Organic nanoparticles with ultrahigh stimulated emission depletion efficiency for low-power STED nanoscopy.
Authors of publication	Man, Zhongwei; Lv, Zheng; Xu, Zhenzhen; Cui, Hongtu; Liao, Qing; Zheng, Lemin; Jin, Xue; He, Qihua; Fu, Hongbing
Journal of publication	Nanoscale
Year of publication	2019
Journal volume	11
Journal issue	27
Pages of publication	12990 - 12996
a	17.1059 ± 0.0004 Å
b	14.9921 ± 0.0004 Å
c	14.7772 ± 0.0004 Å
α	90°
β	95.317 ± 0.002°
γ	90°
Cell volume	3773.36 ± 0.17 Å³
Cell temperature	296.96 ± 0.1 K
Ambient diffraction temperature	296.96 ± 0.1 K
Number of distinct elements	4
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0947
Residual factor for significantly intense reflections	0.0863
Weighted residual factors for significantly intense reflections	0.2855
Weighted residual factors for all reflections included in the refinement	0.3057
Goodness-of-fit parameter for all reflections included in the refinement	1.33
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
224659 (current)	2019-11-08	cif/ Updating files of 1551477 Original log message: Adding full bibliography for 1551477.cif.	1551477.cif
216040	2019-06-18	cif/ Adding structures of 1551477 via cif-deposit CGI script.	1551477.cif