Crystallography Open Database

Information card for entry 1547232

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Structure parameters

Formula	C36 H40 N4
Calculated formula	C36 H40 N4
SMILES	C(=C(c1ccccc1)c1ccccc1)(c1ccc(cc1)N1CCN(C)CC1)c1ccc(cc1)N1CCN(C)CC1
Title of publication	An Acidic pH Independent Piperazine-TPE AIEgen as a Unique Bioprobe for Lysosome Tracing
Authors of publication	Cai, Yuanjing; Gui, Chen; Samedov, Kerim; Su, Huifang; Gu, Xinggui; Li, Shiwu; Luo, Wenwen; Sung, Herman H-Y.; Lam, Jacky Wing Yip; Kwok, Ryan T. K.; Williams, Ian Duncan; Qin, Anjun; Tang, Ben Zhong
Journal of publication	Chem. Sci.
Year of publication	2017
a	13.1123 ± 0.0013 Å
b	20.584 ± 0.0016 Å
c	11.26 ± 0.0009 Å
α	90°
β	99.391 ± 0.009°
γ	90°
Cell volume	2998.4 ± 0.5 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	3
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	0.1569
Residual factor for significantly intense reflections	0.0679
Weighted residual factors for significantly intense reflections	0.099
Weighted residual factors for all reflections included in the refinement	0.1222
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation probe	x-ray
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
301779 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure.	1547232.cif
201004	2017-09-19	cif/ Adding structures of 1547232 via cif-deposit CGI script.	1547232.cif