Information card for entry 2013878

Structure parameters

• Common name: 2α,4α-dibenzyl-3β-tropanol
• Chemical name: 2α,4α-dibenzyl-8-methyl-8-azabicyclo[3.2.1]octane-3β-ol
• Formula: C22 H27 N O
• Calculated formula: C22 H27 N O
• Title of publication: Two isomers of 2,4-dibenzyl-8-azabicyclo[3.2.1]octan-3-ol
• Authors of publication: Zheng, Guangrong; Parkin, Sean; Dwoskin, Linda P.; Crooks, Peter A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 1
• Pages of publication: o9 - o11
• a: 17.858 ± 0.0008 Å
• b: 10.548 ± 0.0009 Å
• c: 9.2364 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1739.8 ± 0.2 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 4
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0726
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.485
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes