Crystallography Open Database

Information card for entry 1557283

Preview

Coordinates	1557283.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H30 N4 O3
Calculated formula	C25 H30 N4 O3
SMILES	N#C/C(=C\c1ccc(N2CCN(CC2)C)cc1)c1ccc(cc1)c1ccncc1.O.O.O
Title of publication	In vivo monitoring of tissue regeneration using a ratiometric lysosomal AIE probe
Authors of publication	Shi, Xiujuan; Yan, Neng; Niu, Guangle; Sung, Simon H. P.; Liu, Zhiyang; Liu, Junkai; Kwok, Ryan T. K.; Lam, Jacky W. Y.; Wang, Wen-Xiong; Sung, Herman H.-Y.; Williams, Ian D.; Tang, Ben Zhong
Journal of publication	Chemical Science
Year of publication	2020
Journal volume	11
Journal issue	12
Pages of publication	3152 - 3163
a	6.6601 ± 0.0004 Å
b	7.4588 ± 0.0004 Å
c	23.5097 ± 0.0015 Å
α	94.931 ± 0.005°
β	90.774 ± 0.005°
γ	105.499 ± 0.005°
Cell volume	1120.43 ± 0.12 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0532
Residual factor for significantly intense reflections	0.0394
Weighted residual factors for significantly intense reflections	0.0926
Weighted residual factors for all reflections included in the refinement	0.0981
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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
257414 (current)	2020-10-06	cif/ Updating files of 1557283 Original log message: Adding full bibliography for 1557283.cif.	1557283.cif
250258	2020-04-05	cif/ Updating files of 1557283 Original log message: Adding full bibliography for 1557283.cif.	1557283.cif
248016	2020-02-11	cif/ Adding structures of 1557283 via cif-deposit CGI script.	1557283.cif