Crystallography Open Database

Information card for entry 7236963

Preview

Coordinates	7236963.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	2-(bis(4-(1,2,2-triphenylvinyl)phenyl)methylene)malononitrile
Formula	C56 H38 N2
Calculated formula	C56 H38 N2
Title of publication	Triphenylethylenyl-based donor‒acceptor‒donor molecules: studies on structural and optical properties and AIE properties for cyanide detection
Authors of publication	Chua, Ming Hui; Zhou, Hui; Lin, Ting Ting; Wu, Jishan; Xu, Jianwei
Journal of publication	Journal of Materials Chemistry C
Year of publication	2017
Journal volume	5
Journal issue	46
Pages of publication	12194
a	14.0044 ± 0.0003 Å
b	12.8632 ± 0.0003 Å
c	22.7228 ± 0.0005 Å
α	90°
β	92.288 ± 0.001°
γ	90°
Cell volume	4090.05 ± 0.16 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0388
Residual factor for significantly intense reflections	0.0359
Weighted residual factors for significantly intense reflections	0.0913
Weighted residual factors for all reflections included in the refinement	0.0935
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
236673 (current)	2019-11-24	cif/ Adding structures of 7236961, 7236962, 7236963, 7236964, 7236965, 7236966 via cif-deposit CGI script.	7236963.cif