Information card for entry 2236155

Structure parameters

• Chemical name: 2,4-Bis(4-ethoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-one
• Formula: C24 H29 N O3
• Calculated formula: C24 H29 N O3
• SMILES: O(c1ccc(cc1)[C@@H]1N[C@H](c2ccc(OCC)cc2)[C@H]2C(=O)[C@@H]1CCC2)CC
• Title of publication: 2,4-Bis(4-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: 10
• Pages of publication: o2841
• a: 14.0319 ± 0.0011 Å
• b: 7.3143 ± 0.0006 Å
• c: 20.582 ± 0.0017 Å
• α: 90°
• β: 106.841 ± 0.003°
• γ: 90°
• Cell volume: 2021.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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 all reflections: 0.128
• Residual factor for significantly intense reflections: 0.0717
• Weighted residual factors for significantly intense reflections: 0.1943
• Weighted residual factors for all reflections included in the refinement: 0.2322
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes