Information card for entry 2233235

Structure parameters

• Chemical name: 6,6'-Di-<i>tert</i>-butyl-4,4'-dimethyl-2,2'-[1,2- phenylenebis(nitrilomethanylylidene)]diphenol
• Formula: C30 H36 N2 O2
• Calculated formula: C30 H36 N2 O2
• SMILES: N(=C\c1cc(cc(c1O)C(C)(C)C)C)/c1ccccc1/N=C/c1cc(cc(c1O)C(C)(C)C)C
• Title of publication: 6,6'-Di-<i>tert</i>-butyl-4,4'-dimethyl-2,2'-[1,2-phenylenebis(nitrilomethanylylidene)]diphenol
• Authors of publication: Ding, Rui-Fang; Wang, Qi-Bao; Wen, Xin-Min
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: o40
• a: 10.578 ± 0.007 Å
• b: 11.394 ± 0.007 Å
• c: 12.217 ± 0.007 Å
• α: 72.195 ± 0.006°
• β: 73.525 ± 0.006°
• γ: 72.975 ± 0.006°
• Cell volume: 1309.7 ± 1.4 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: 0.1081
• Residual factor for significantly intense reflections: 0.0752
• Weighted residual factors for significantly intense reflections: 0.25
• Weighted residual factors for all reflections included in the refinement: 0.2706
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes