Information card for entry 2208409

Structure parameters

• Chemical name: (Z)-2-Amino-5-dibenzylamino-6-phenyl-1-(2-pyridyl)hex-2-en-3-one
• Formula: C31 H31 N3 O
• Calculated formula: C31 H31 N3 O
• SMILES: O=C(C(Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1)/C=C(/Cc1ccccn1)N
• Title of publication: (<i>Z</i>)-5-Amino-2-dibenzylamino-1-phenyl-6-(2-pyridyl)hex-4-en-3-one
• Authors of publication: Meng, Jie; Zheng,Jian-Feng; Fang, Hua; Jin, Li-Ren
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: o938 - o939
• a: 9.003 ± 0.003 Å
• b: 10.892 ± 0.004 Å
• c: 13.802 ± 0.005 Å
• α: 76.427 ± 0.006°
• β: 71.484 ± 0.006°
• γ: 84.656 ± 0.007°
• Cell volume: 1247.3 ± 0.8 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0799
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.1662
• Weighted residual factors for all reflections included in the refinement: 0.1782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes