Information card for entry 2207735

Structure parameters

• Chemical name: N-{3-(4-Chlorophenyl)-6-[(Z)-(4-chlorophenyl)methylidene]-2-phenyl- 2-azabicyclo[2.2.2]oct-5-ylidene}aniline
• Formula: C32 H26 Cl2 N2
• Calculated formula: C32 H26 Cl2 N2
• SMILES: Clc1ccc(C=C2C(=Nc3ccccc3)[C@H]3[C@H](N([C@@H]2CC3)c2ccccc2)c2ccc(Cl)cc2)cc1.Clc1ccc(C=C2C(=Nc3ccccc3)[C@@H]3[C@@H](N([C@H]2CC3)c2ccccc2)c2ccc(Cl)cc2)cc1
• Title of publication: <i>N</i>-{3-(4-Chlorophenyl)-6-[(<i>Z</i>)-(4-chlorophenyl)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: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: o318 - o320
• a: 14.356 ± 0.0006 Å
• b: 10.0621 ± 0.0004 Å
• c: 18.3872 ± 0.0008 Å
• α: 90°
• β: 91.427 ± 0.001°
• γ: 90°
• Cell volume: 2655.24 ± 0.19 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0757
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.146
• Weighted residual factors for all reflections included in the refinement: 0.1626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes