Information card for entry 2204281

Structure parameters

• Chemical name: 1,4-Bis(3,5-di-tert-butyl-2-hydroxybenzylideneaminomethyl)benzene
• Formula: C38 H52 N2 O2
• Calculated formula: C38 H52 N2 O2
• SMILES: Oc1c(/C=N/Cc2ccc(cc2)C/N=C\c2cc(cc(c2O)C(C)(C)C)C(C)(C)C)cc(cc1C(C)(C)C)C(C)(C)C
• Title of publication: 1,4-Bis(3,5-di-<i>tert</i>-butyl-2-hydroxybenzylideneaminomethyl)benzene
• Authors of publication: Tooke, Duncan M.; Song, Yufei; van Albada, Gerard A.; Reedijk, Jan; Spek, Anthony L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 10
• Pages of publication: o1907 - o1908
• a: 15.8792 ± 0.0018 Å
• b: 10.4601 ± 0.0011 Å
• c: 10.4395 ± 0.0015 Å
• α: 90°
• β: 106.856 ± 0.01°
• γ: 90°
• Cell volume: 1659.5 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0799
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1019
• Weighted residual factors for all reflections included in the refinement: 0.1149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes