Information card for entry 2208064

Structure parameters

• Chemical name: (Z)-2-[1-(4-Methylbenzenesulfonyl)-1H-indol-3-ylmethylene]-1- azabicyclo[2.2.2]octan-3-one
• Formula: C23 H22 N2 O3 S
• Calculated formula: C23 H22 N2 O3 S
• Title of publication: (<i>Z</i>)-2-[1-(4-Methylphenylsulfonyl)-1<i>H</i>-indol-3-ylmethylene]-1-azabicyclo[2.2.2]octan-3-one
• Authors of publication: Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: o623 - o625
• a: 7.905 ± 0.0001 Å
• b: 10.6596 ± 0.0002 Å
• c: 12.2642 ± 0.0002 Å
• α: 93.2146 ± 0.0007°
• β: 101.131 ± 0.0008°
• γ: 107.35 ± 0.0007°
• Cell volume: 960.7 ± 0.03 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 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: 0.0455
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.0951
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes