Information card for entry 2206925

Structure parameters

• Chemical name: N-{2,3-diphenyl-6-[(Z)-phenylmethylidene]- 2-azabicyclo[2.2.2]oct-5-ylidene}-aniline
• Formula: C32 H28 N2
• Calculated formula: C32 H28 N2
• SMILES: N1([C@@H]2/C(=C\c3ccccc3)/C(=N/c3ccccc3)[C@H]([C@@H]1c1ccccc1)CC2)c1ccccc1.N1([C@H]2/C(=C\c3ccccc3)/C(=N/c3ccccc3)[C@@H]([C@H]1c1ccccc1)CC2)c1ccccc1
• Title of publication: <i>N</i>-{6-[(<i>Z</i>)-Benzylidene]-2,3-diphenyl-2-azabicyclo[2.2.2]octan-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: 10
• Pages of publication: o3273 - o3275
• a: 14.6209 ± 0.0013 Å
• b: 9.5899 ± 0.0009 Å
• c: 17.9541 ± 0.0016 Å
• α: 90°
• β: 107.701 ± 0.002°
• γ: 90°
• Cell volume: 2398.2 ± 0.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0654
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1242
• Weighted residual factors for all reflections included in the refinement: 0.1342
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes