Crystallography Open Database

Information card for entry 7234646

Preview

Coordinates	7234646.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	2-(bis(4-dimethylaminophenyl)methylene)malonitrile
Chemical name	1,1-Dicyano-2,2-bis(4-dimethylaminophenyl)ethylene dichloromethane solvate
Formula	C21 H22 Cl2 N4
Calculated formula	C21 H22 Cl2 N4
Title of publication	Polymorphism-dependent aggregation induced emission of a push-pull dye and its multi-stimuli responsive behavior
Authors of publication	Chiara Botta; Sara Benedini; Lucia Carlucci; Alessandra Forni; Daniele Marinotto; Andrea Nitti; Dario Pasini; Stefania Righetto; Elena Cariati
Journal of publication	Journal of Materials Chemistry C
Year of publication	2016
Journal volume	4
Pages of publication	2979 - 2989
a	12.5444 ± 0.0008 Å
b	22.3085 ± 0.0014 Å
c	7.5898 ± 0.0005 Å
α	90°
β	105.35 ± 0.001°
γ	90°
Cell volume	2048.2 ± 0.2 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 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	0.0704
Residual factor for significantly intense reflections	0.0541
Weighted residual factors for significantly intense reflections	0.1253
Weighted residual factors for all reflections included in the refinement	0.136
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
219367 (current)	2019-10-15	cif/ Adding structures of 7234643, 7234644, 7234645, 7234646 via cif-deposit CGI script.	7234646.cif