Information card for entry 4021951

Structure parameters

• Common name: N,N'-Dibenzhydrylbisoidine
• Chemical name: 3,7-Bis(1,1-diphenylmetyl)-3,7-diazabicyclo[3.3.1]nonane
• Formula: C33 H34 N2
• Calculated formula: C33 H34 N2
• SMILES: C12CN(CC(CN(C1)C(c1ccccc1)c1ccccc1)C2)C(c1ccccc1)c1ccccc1
• Title of publication: Substituent Effects on the Basicity of 3,7-Diazabicyclo[3.3.1]nonanes
• Authors of publication: Lauri Toom; Agnes Kütt; Ivari Kaljurand; Ivo Leito; Henrik Ottosson; Helena Grennberg; Adolf Gogoll
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2006
• Journal volume: 71
• Pages of publication: 7155 - 7164
• a: 8.9558 ± 0.0001 Å
• b: 22.6588 ± 0.0003 Å
• c: 13.5142 ± 0.0002 Å
• α: 90°
• β: 109.24 ± 0.001°
• γ: 90°
• Cell volume: 2589.23 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0699
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.1283
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No