Crystallography Open Database

Information card for entry 7130589

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Coordinates	7130589.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H18 Cl3 N5 O4 S
Calculated formula	C18 H18 Cl3 N5 O4 S
SMILES	C1(=O)C(=N\Nc2c(c(c(C(OC)OC)s2)Cl)C#N)/C(=C(C(=O)N1CC)C#N)C.C(Cl)Cl
Title of publication	A pH-activated fluorescence probe via transformation of azo and hydrazone forms for lysosomal pH imaging
Authors of publication	Zhao, Xiaolei; Yan, Chenxu; Qiu, Wanshan; Yu, Tao; Wang, Wujin; Zhu, Weihong
Journal of publication	Chemical Communications
Year of publication	2022
a	8.0328 ± 0.0006 Å
b	10.5896 ± 0.001 Å
c	14.2584 ± 0.001 Å
α	79.176 ± 0.003°
β	77.012 ± 0.003°
γ	75.686 ± 0.003°
Cell volume	1133.87 ± 0.16 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0904
Residual factor for significantly intense reflections	0.0688
Weighted residual factors for significantly intense reflections	0.1726
Weighted residual factors for all reflections included in the refinement	0.1867
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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