Information card for entry 2207738

Structure parameters

• Chemical name: 1-(3-Methyl-3-phenylcyclobutyl)-2-(piperidin-1-yl)ethanone oxime
• Formula: C18 H26 N2 O
• Calculated formula: C18 H26 N2 O
• SMILES: O/N=C(C1CC(C1)(C)c1ccccc1)\CN1CCCCC1
• Title of publication: 1-(3-Methyl-3-phenylcyclobutyl)-2-(piperidin-1-yl)ethanone oxime
• Authors of publication: Dinçer, Muharrem; Özdemir, Namık; Çukurovalı, Alaaddin; Yılmaz, İbrahim; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: o336 - o338
• a: 10.8782 ± 0.0005 Å
• b: 5.8899 ± 0.0003 Å
• c: 53.307 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3415.5 ± 0.3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1178
• Weighted residual factors for all reflections included in the refinement: 0.1222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes