Information card for entry 7234889

Structure parameters

• Common name: 2-(4-dicyanomethylenecyclohexa-2,5-dieny1idene)-1,3-dimethylimidazolidine
• Formula: C14 H14 N4
• Calculated formula: C14 H14 N4
• Title of publication: Fluorescence enhancement in crystals tuned by a molecular torsion angle: a model to analyze structural impact
• Authors of publication: P. Srujana; Tarun Gera; T. P. Radhakrishnan
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2016
• Journal volume: 4
• Pages of publication: 6510 - 6515
• a: 9.1349 ± 0.0006 Å
• b: 11.5867 ± 0.0007 Å
• c: 11.7632 ± 0.0007 Å
• α: 90°
• β: 98.442 ± 0.001°
• γ: 90°
• Cell volume: 1231.57 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0378
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No