Information card for entry 2216104

Structure parameters

• Chemical name: 4,4'-Dimethyl-2,2'-[1,1'-(ethane-1,2-diyldinitrilo)diethylidyne]diphenol
• Formula: C20 H24 N2 O2
• Calculated formula: C20 H24 N2 O2
• SMILES: CC(=N\CC/N=C(/c1cc(C)ccc1O)C)/c1cc(C)ccc1O
• Title of publication: 4,4'-Dimethyl-2,2'-[1,1'-(ethane-1,2-diyldinitrilo)diethylidyne]diphenol
• Authors of publication: G. Chakkaravarthi; A. Anthonysamy; S. Balasubramanian; V. Manivannan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4475 - o4475
• a: 18.9118 ± 0.0008 Å
• b: 6.937 ± 0.0003 Å
• c: 13.4509 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1764.64 ± 0.13 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0703
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1387
• Weighted residual factors for all reflections included in the refinement: 0.1573
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes