Information card for entry 2240075

Structure parameters

• Chemical name: 2,4-Bis(2-chlorophenyl)-7-<i>tert</i>-pentyl-3-azabicyclo[3.3.1]nonan-9-one
• Formula: C25 H29 Cl2 N O
• Calculated formula: C25 H29 Cl2 N O
• Title of publication: Crystal structure of 2,4-bis(2-chlorophenyl)-7-<i>tert</i>-pentyl-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: 2014
• Journal volume: 70
• Journal issue: 11
• Pages of publication: o1161 - o1162
• a: 7.6006 ± 0.0003 Å
• b: 10.624 ± 0.0005 Å
• c: 15.1124 ± 0.0007 Å
• α: 106.116 ± 0.002°
• β: 99.996 ± 0.002°
• γ: 98.266 ± 0.002°
• Cell volume: 1130.54 ± 0.09 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes