Information card for entry 2217740

Structure parameters

• Common name: 2,2'-{1,2-phenylenebis(nitrilomethylidyne)}bis(4,6-di-<i>tert</i>-butylphenol) acetone solvate
• Chemical name: 4,4',6,6'-Tetra-<i>tert</i>-butyl-2,2'-[1,2- phenylenebis(nitrilomethylidyne)]diphenol acetone solvate
• Formula: C39 H54 N2 O3
• Calculated formula: C39 H54 N2 O3
• SMILES: Oc1c(cc(cc1/C=N/c1ccccc1/N=C/c1cc(cc(c1O)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C.O=C(C)C
• Title of publication: 4,4',6,6'-Tetra-<i>tert</i>-butyl-2,2'-[1,2-phenylenebis(nitrilomethylidyne)]diphenol acetone solvate
• Authors of publication: Eltayeb, Naser Eltaher; Teoh, Siang Guan; Chantrapromma, Suchada; Fun, Hoong-Kun; Adnan, Rohana
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 3
• Pages of publication: o576 - o577
• a: 10.0008 ± 0.0002 Å
• b: 12.002 ± 0.0003 Å
• c: 17.0366 ± 0.0004 Å
• α: 82.068 ± 0.001°
• β: 86.32 ± 0.001°
• γ: 65.764 ± 0.001°
• Cell volume: 1846.76 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0857
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1608
• Weighted residual factors for all reflections included in the refinement: 0.1828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes