Crystallography Open Database

Information card for entry 7234645

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Structure parameters

Common name	2-(bis(4-dimethylaminophenyl)methylene)malonitrile
Chemical name	1,1-Dicyano-2,2-bis(4-dimethylaminophenyl)ethylene
Formula	C20 H20 N4
Calculated formula	C20 H20 N4
SMILES	N#CC(=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1)C#N
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	9.7959 ± 0.0012 Å
b	9.9417 ± 0.0012 Å
c	17.678 ± 0.002 Å
α	90°
β	94.478 ± 0.001°
γ	90°
Cell volume	1716.4 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0788
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.0982
Weighted residual factors for all reflections included in the refinement	0.1096
Goodness-of-fit parameter for all reflections included in the refinement	1.01
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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