Information card for entry 2228164

Structure parameters

• Chemical name: 2,4-Bis(2-methylphenyl)-3-azabicyclo[3.3.1]nonan-9-one <i>O</i>-methyloxime
• Formula: C23 H28 N2 O
• Calculated formula: C23 H28 N2 O
• SMILES: CON=C1[C@H]2CCC[C@@H]1[C@@H](N[C@@H]2c1ccccc1C)c1ccccc1C
• Title of publication: 2,4-Bis(2-methylphenyl)-3-azabicyclo[3.3.1]nonan-9-one <i>O</i>-methyloxime
• Authors of publication: Parthiban, P.; Ramkumar, V.; Jeong, Yeon Tae
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2978
• a: 6.97 ± 0.0009 Å
• b: 15.3476 ± 0.0016 Å
• c: 18.354 ± 0.002 Å
• α: 90°
• β: 94.622 ± 0.004°
• γ: 90°
• Cell volume: 1957 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1533
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1349
• Weighted residual factors for all reflections included in the refinement: 0.1692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes