Information card for entry 2209629

Structure parameters

• Chemical name: 2-(2,6-Diisopropylphenylimino)-1-phenylpropan-1-one
• Formula: C21 H25 N O
• Calculated formula: C21 H25 N O
• SMILES: c1(ccccc1)C(=O)/C(=N/c1c(cccc1C(C)C)C(C)C)C
• Title of publication: 2-(2,6-Diisopropylphenylimino)-1-phenylpropan-1-one
• Authors of publication: Ferreira, Leonardo C.; Filgueiras, Carlos Alberto L.; Hörner, Manfredo; Visentin, Lorenzo do C.; Bordinhao, Jairo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o2969 - o2970
• a: 9.9291 ± 0.0004 Å
• b: 18.5953 ± 0.0006 Å
• c: 10.4394 ± 0.0004 Å
• α: 90°
• β: 108.015 ± 0.002°
• γ: 90°
• Cell volume: 1832.98 ± 0.12 ų
• Cell temperature: 295 ± 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 significantly intense reflections: 0.0476
• Weighted residual factors for all reflections included in the refinement: 0.1437
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes