Crystallography Open Database

Information card for entry 7236862

Preview

Coordinates	7236862.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H37 N3 O4
Calculated formula	C33 H37 N3 O4
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	11.2361 ± 0.0014 Å
b	24.602 ± 0.003 Å
c	10.5445 ± 0.0014 Å
α	90°
β	98.262 ± 0.002°
γ	90°
Cell volume	2884.6 ± 0.6 Å³
Cell temperature	130 K
Ambient diffraction temperature	130 K
Number of distinct elements	4
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	0.0955
Residual factor for significantly intense reflections	0.046
Weighted residual factors for significantly intense reflections	0.0974
Weighted residual factors for all reflections included in the refinement	0.115
Goodness-of-fit parameter for all reflections included in the refinement	0.975
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.	7236862.cif