Crystallography Open Database

Information card for entry 1554239

Preview

Coordinates	1554239.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H37 F6 N O2 P
Calculated formula	C39 H37 F6 N2 O2 P
SMILES	[P](F)(F)(F)(F)(F)[F-].O=C(OCC)c1ccc(n2c(c(/C=C/C3=[N+](c4c(cccc4)C3(C)C)CC)cc2c2ccccc2)c2ccccc2)cc1
Title of publication	Real time bioimaging for mitochondria by taking the aggregation process of aggregation-induced emission near-infrared dyes with wash-free staining
Authors of publication	Ren, Fei; Liu, Pai; Gao, Yu; Shi, Jianbing; Tong, Bin; Cai, Zhengxu; Dong, Yuping
Journal of publication	Materials Chemistry Frontiers
Year of publication	2019
Journal volume	3
Journal issue	1
Pages of publication	57
a	11.951 ± 0.002 Å
b	15.59 ± 0.003 Å
c	18.828 ± 0.004 Å
α	90°
β	97.29 ± 0.03°
γ	90°
Cell volume	3479.6 ± 1.2 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153.15 K
Number of distinct elements	6
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	0.2843
Residual factor for significantly intense reflections	0.2299
Weighted residual factors for significantly intense reflections	0.495
Weighted residual factors for all reflections included in the refinement	0.5293
Goodness-of-fit parameter for all reflections included in the refinement	1.687
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
237051 (current)	2019-11-24	cif/ Adding structures of 1554239 via cif-deposit CGI script.	1554239.cif