Information card for entry 2206174

Structure parameters

• Chemical name: N-{3-(4-methylphenyl)-6-[(Z)-(4-methylphenyl)methylidene]-2-phenyl- 2-azabicyclo[2.2.2]oct-5-ylidene}aniline
• Formula: C34 H32 N2
• Calculated formula: C34 H32 N2
• SMILES: [C@@H]12C(C([C@H]([C@H](c3ccc(cc3)C)N2c2ccccc2)CC1)=Nc1ccccc1)=Cc1ccc(cc1)C.[C@H]12C(C([C@@H]([C@@H](c3ccc(cc3)C)N2c2ccccc2)CC1)=Nc1ccccc1)=Cc1ccc(cc1)C
• Title of publication: <i>N</i>-{3-(4-Methylphenyl)-6-[(<i>Z</i>)-(4-methylphenyl)methylidene]-2-phenyl-2-azabicyclo[2.2.2]oct-5-ylidene}aniline
• Authors of publication: K. Ravikumar; B. Sridhar; M. Mahesh; V. V. Narayana Reddy
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: o2277 - o2279
• a: 14.1805 ± 0.0008 Å
• b: 10.1822 ± 0.0005 Å
• c: 18.3636 ± 0.001 Å
• α: 90°
• β: 91.08 ± 0.001°
• γ: 90°
• Cell volume: 2651 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 3
• 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: 0.0558
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1274
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes