Information card for entry 2236569

Structure parameters

• Chemical name: 2,2'-{[(2,2'-Diethoxy-1,1'-binaphthalene-6,6'-diyl)bis(4,1- phenylene)]bis(methanylylidene)}dimalononitrile
• Formula: C44 H30 N4 O2
• Calculated formula: C44 H30 N4 O2
• SMILES: CCOc1ccc2c(c1c1c(OCC)ccc3c1ccc(c3)c1ccc(cc1)C=C(C#N)C#N)ccc(c2)c1ccc(cc1)C=C(C#N)C#N
• Title of publication: 2,2'-{[(2,2'-Diethoxy-1,1'-binaphthalene-6,6'-diyl)bis(4,1-phenylene)]bis(methanylylidene)}dimalononitrile
• Authors of publication: Chen, Shikun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: o2852
• a: 8.4556 ± 0.0012 Å
• b: 8.4556 ± 0.0012 Å
• c: 46.991 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3359.7 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0464
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.0948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes