Information card for entry 2202922

Structure parameters

• Formula: C36 H40 N6 O
• Calculated formula: C36 H40 N6 O
• SMILES: c1(c(cc(cc1CN(Cc1ccccn1)Cc1ccccn1)C(C)(C)C)CN(Cc1ccccn1)Cc1ccccn1)O
• Title of publication: 2,6-Bis[bis(pyridin-2-ylmethyl)aminomethyl]-4-<i>tert</i>-butylphenol
• Authors of publication: Bjernemose, Jens K.; McKenzie, Christine J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 9
• Pages of publication: o1275 - o1276
• a: 9.892 ± 0.005 Å
• b: 31.185 ± 0.005 Å
• c: 10.524 ± 0.005 Å
• α: 90°
• β: 102.188 ± 0.005°
• γ: 90°
• Cell volume: 3173 ± 2 ų
• Cell temperature: 180 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes