Crystallography Open Database

Information card for entry 7236860

Preview

Coordinates	7236860.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H86 N6 O8
Calculated formula	C72 H86 N6 O8
Title of publication	5-(2,6-Bis((E)-4-(dimethylamino)styryl)-1-ethylpyridin-4(1H)-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione: aggregation-induced emission, polymorphism, mechanochromism, and thermochromism
Authors of publication	Zhou, Yibin; Qian, Lebin; Liu, Miaochang; Huang, Xiaobo; Wang, Yuxiang; Cheng, Yixiang; Gao, Wenxia; Wu, Ge; Wu, Huayue
Journal of publication	Journal of Materials Chemistry C
Year of publication	2017
Journal volume	5
Journal issue	36
Pages of publication	9264
a	14.7343 ± 0.0014 Å
b	14.7727 ± 0.0015 Å
c	15.7694 ± 0.0015 Å
α	92.545 ± 0.003°
β	93.186 ± 0.002°
γ	110.15 ± 0.002°
Cell volume	3210 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.1284
Residual factor for significantly intense reflections	0.0666
Weighted residual factors for significantly intense reflections	0.1672
Weighted residual factors for all reflections included in the refinement	0.2063
Goodness-of-fit parameter for all reflections included in the refinement	0.982
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
236581 (current)	2019-11-24	cif/ Adding structures of 7236860, 7236861, 7236862 via cif-deposit CGI script.	7236860.cif