Information card for entry 2239033

Structure parameters

• Chemical name: 4,4'-({[(Pyridine-2,6-diyl)bis(methylene)]bis(oxy)}bis(methylene))dibenzonitrile
• Formula: C23 H19 N3 O2
• Calculated formula: C23 H19 N3 O2
• SMILES: N#Cc1ccc(cc1)COCc1cccc(n1)COCc1ccc(cc1)C#N
• Title of publication: 4,4'-({[(Pyridine-2,6-diyl)bis(methylene)]bis(oxy)}bis(methylene))dibenzonitrile
• Authors of publication: Yamin, Bohari M.; Kamalulazmy, Nurul A.; Hassan, Nurul I.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 2
• Pages of publication: o132
• a: 14.1838 ± 0.0007 Å
• b: 7.5493 ± 0.0004 Å
• c: 18.4619 ± 0.0012 Å
• α: 90°
• β: 107.837 ± 0.002°
• γ: 90°
• Cell volume: 1881.83 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0494
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes