Information card for entry 7211301

Structure parameters

• Formula: C24 H18 N4 O3
• Calculated formula: C24 H18 N4 O3
• Title of publication: The effect of the molecular structures of dicyanomethylene compounds on their supramolecular assembly, photophysical and electrochemical properties.
• Authors of publication: Matos, Catiúcia R M O; Miranda, Fabio S.; Carneiro, José W de M; Pinheiro, Carlos B.; Ronconi, Célia M
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 31
• Pages of publication: 13013 - 13023
• a: 27.6303 ± 0.001 Å
• b: 4.10757 ± 0.00017 Å
• c: 19.1097 ± 0.0006 Å
• α: 90°
• β: 110.163 ± 0.003°
• γ: 90°
• Cell volume: 2035.91 ± 0.13 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0441
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1129
• Weighted residual factors for all reflections included in the refinement: 0.1143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No