Information card for entry 7234887

Structure parameters

• Common name: 2-(4-dicyanomethylenecyclohexa-2,5-dieny1idene)-imidazolidine.DMF
• Formula: C15 H17 N5 O
• Calculated formula: C15 H17 N5 O
• 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: 5.6328 ± 0.0005 Å
• b: 11.2617 ± 0.001 Å
• c: 11.2686 ± 0.001 Å
• α: 86.443 ± 0.001°
• β: 77.439 ± 0.001°
• γ: 85.486 ± 0.001°
• Cell volume: 694.81 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0375
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.1016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No