Information card for entry 2229904

Structure parameters

• Chemical name: (<i>Z</i>)-1-(3-Mesityl-3-methylcyclobutyl)-2-(morpholin-4-yl)ethanone oxime
• Formula: C20 H30 N2 O2
• Calculated formula: C20 H30 N2 O2
• SMILES: c1(c(cc(cc1C)C)C)C1(C)CC(C1)/C(=N\O)CN1CCOCC1
• Title of publication: (<i>Z</i>)-1-(3-Mesityl-3-methylcyclobutyl)-2-(morpholin-4-yl)ethanone oxime
• Authors of publication: Şen, Fatih; Dinçer, Muharrem; Çukurovalı, Alaaddin; Yılmaz, Ibrahim
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: o958 - o959
• a: 13.0273 ± 0.0004 Å
• b: 10.2337 ± 0.0002 Å
• c: 18.1262 ± 0.0006 Å
• α: 90°
• β: 126.574 ± 0.002°
• γ: 90°
• Cell volume: 1940.69 ± 0.11 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• 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: 0.0661
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1609
• Weighted residual factors for all reflections included in the refinement: 0.171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes