Information card for entry 2226393

Structure parameters

• Common name: 4,4'-methylenebis(2,6-diethylbenzonitrile)
• Chemical name: 2,2',6,6'-Tetraethyl-4,4'-methylenedibenzonitrile
• Formula: C23 H26 N2
• Calculated formula: C23 H26 N2
• SMILES: CCc1cc(Cc2cc(CC)c(c(c2)CC)C#N)cc(c1C#N)CC
• Title of publication: 2,2',6,6'-Tetraethyl-4,4'-methylenedibenzonitrile
• Authors of publication: Yuan, Jingjing; Zhu, Yanping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1523
• a: 16.016 ± 0.003 Å
• b: 9.3218 ± 0.0019 Å
• c: 13.977 ± 0.003 Å
• α: 90°
• β: 115.55 ± 0.03°
• γ: 90°
• Cell volume: 1882.7 ± 0.8 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 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: 0.064
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes