Information card for entry 7234645

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
• 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 ų
• 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 Fobs: No