Information card for entry 2208651

Structure parameters

• Chemical name: (1R,2R)-(+)-4,4'-Di-tert-butyl-2,2'-[1,2-diphenylethane-1,2- diylbis(nitrilomethylidyne)]diphenol
• Formula: C36 H40 N2 O2
• Calculated formula: C36 H40 N2 O2
• SMILES: Oc1ccc(cc1/C=N/[C@@H]([C@@H](c1ccccc1)/N=C/c1cc(ccc1O)C(C)(C)C)c1ccccc1)C(C)(C)C
• Title of publication: (1<i>R</i>,2<i>R</i>)-(+)-4,4'-Di-<i>tert</i>-butyl-2,2'-[1,2-diphenylethane-1,2-diylbis(nitrilomethylidyne)]diphenol
• Authors of publication: Korendovych, Ivan V.; Makhlynets, Olga V.; Buzak, Sara K.; Flook, Margaret; Kryatov, Sergey V.; Haas, Terry E.; Rybak-Akimova, Elena V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: o1240 - o1242
• a: 10.4213 ± 0.0016 Å
• b: 22.729 ± 0.004 Å
• c: 6.3769 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1510.5 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.141
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1263
• Goodness-of-fit parameter for all reflections included in the refinement: 0.878
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes