Information card for entry 2218836

Structure parameters

• Chemical name: 4,4'-[Propane-1,3-diylbis(nitrilomethylidyne)]dibenzonitrile
• Formula: C19 H16 N4
• Calculated formula: C19 H16 N4
• SMILES: N#Cc1ccc(cc1)/C=N/CCC/N=C/c1ccc(cc1)C#N
• Title of publication: 4,4'-[Propane-1,3-diylbis(nitrilomethylidyne)]dibenzonitrile
• Authors of publication: Fun, Hoong-Kun; Kia, Reza; Kargar, Hadi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: o1335
• a: 14.4982 ± 0.0004 Å
• b: 6.9025 ± 0.0002 Å
• c: 16.9842 ± 0.0006 Å
• α: 90°
• β: 111.659 ± 0.004°
• γ: 90°
• Cell volume: 1579.67 ± 0.1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1
• Residual factor for significantly intense reflections: 0.081
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes