Information card for entry 2214667

Structure parameters

• Chemical name: 2-Chloro-1-(3-methyl-3-phenylcyclobutyl)ethanone
• Formula: C13 H15 Cl O
• Calculated formula: C13 H15 Cl O
• SMILES: ClCC(=O)C1CC(C1)(C)c1ccccc1
• Title of publication: 2-Chloro-1-(3-methyl-3-phenylcyclobutyl)ethanone
• Authors of publication: Dinçer, Muharrem; Özdemir, Namık; Yılmaz, İbrahim; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3489 - o3489
• a: 9.498 ± 0.0009 Å
• b: 15.6393 ± 0.0011 Å
• c: 7.8578 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1167.21 ± 0.17 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0352
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0696
• Weighted residual factors for all reflections included in the refinement: 0.0713
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes