Information card for entry 2236835

Structure parameters

• Chemical name: 2,4-Bis(2-ethoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-one
• Formula: C24 H29 N O3
• Calculated formula: C24 H29 N O3
• SMILES: [C@H]1([C@@H]2CCC[C@H]([C@H](c3c(cccc3)OCC)N1)C2=O)c1ccccc1OCC
• Title of publication: 2,4-Bis(2-ethoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-one
• Authors of publication: Park, Dong Ho; Ramkumar, V.; Parthiban, P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: o3282
• a: 9.7981 ± 0.0003 Å
• b: 13.6139 ± 0.0005 Å
• c: 16.7098 ± 0.0006 Å
• α: 74.363 ± 0.002°
• β: 80.464 ± 0.002°
• γ: 83.563 ± 0.002°
• Cell volume: 2111.42 ± 0.13 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0911
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1246
• Weighted residual factors for all reflections included in the refinement: 0.1499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes