Information card for entry 2224360

Structure parameters

• Chemical name: 6,6'-Di-<i>tert</i>-butyl-2,2'-[1,2-phenylenebis(nitrilomethylidyne)]diphenol
• Formula: C28 H32 N2 O2
• Calculated formula: C28 H32 N2 O2
• SMILES: Oc1c(cccc1/C=N/c1ccccc1/N=C/c1cccc(c1O)C(C)(C)C)C(C)(C)C
• Title of publication: 6,6'-Di-<i>tert</i>-butyl-2,2'-[1,2-phenylenebis(nitrilomethylidyne)]diphenol
• Authors of publication: Eltayeb, Naser Eltaher; Teoh, Siang Guan; Yeap, Chin Sing; Fun, Hoong-Kun; Adnan, Rohana
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3142 - o3143
• a: 6.8312 ± 0.0009 Å
• b: 13.9632 ± 0.0016 Å
• c: 14.0689 ± 0.0015 Å
• α: 116.615 ± 0.005°
• β: 99.068 ± 0.004°
• γ: 98.209 ± 0.004°
• Cell volume: 1149.6 ± 0.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 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: 0.0714
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1978
• Weighted residual factors for all reflections included in the refinement: 0.2058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.188
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes