Crystallography Open Database

Information card for entry 1551381

Preview

Coordinates	1551381.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H25 N3
Calculated formula	C23 H25 N3
Title of publication	Assembly of 1H-Isoindole Derivatives by Selective Carbon-Nitrogen Triple Bond Activation: Access to Aggregation-Induced Emission Fluorophores for Lipid Droplets Imaging
Authors of publication	Jiang, Huanfeng; He, Dandan; Zhuang, Zeyan; Wang, Xu; Li, Jiawei; Li, Jianxiao; Wu, Wanqing; Zhao, Zujin; Tang, Ben Zhong
Journal of publication	Chemical Science
Year of publication	2019
a	7.6842 ± 0.0019 Å
b	15.222 ± 0.004 Å
c	15.865 ± 0.002 Å
α	90°
β	94.247 ± 0.016°
γ	90°
Cell volume	1850.6 ± 0.7 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	3
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.2253
Residual factor for significantly intense reflections	0.0795
Weighted residual factors for significantly intense reflections	0.4114
Weighted residual factors for all reflections included in the refinement	0.1468
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
215901 (current)	2019-06-13	cif/ Adding structures of 1551378, 1551379, 1551380, 1551381 via cif-deposit CGI script.	1551381.cif