Information card for entry 2207719

Structure parameters

• Chemical name: 2-Chloro-1-(3 mesitylcyclobutyl)ethanone
• Formula: C16 H21 Cl O
• Calculated formula: C16 H21 Cl O
• Title of publication: 2-Chloro-1-(3-mesityl-3-methylcyclobutyl)ethanone
• Authors of publication: Demir, Sibel; Dinçer, Muharrem; Çukurovalı, Alaaddin; İbrahim Yılmaz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: o298 - o299
• a: 8.3808 ± 0.0017 Å
• b: 15.236 ± 0.004 Å
• c: 12.472 ± 0.003 Å
• α: 90°
• β: 112.173 ± 0.015°
• γ: 90°
• Cell volume: 1474.8 ± 0.6 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: 0.1056
• Residual factor for significantly intense reflections: 0.0703
• Weighted residual factors for significantly intense reflections: 0.1715
• Weighted residual factors for all reflections included in the refinement: 0.195
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No