Information card for entry 2014145

Structure parameters

• Chemical name: (Benzofuran-2-yl)(3-methyl-3-phenylcyclobutyl)methanone
• Formula: C20 H18 O2
• Calculated formula: C20 H18 O2
• SMILES: o1c(cc2ccccc12)C(=O)C1CC(C1)(C)c1ccccc1
• Title of publication: (Benzofuran-2-yl)(3-methyl-3-phenylcyclobutyl)methanone
• Authors of publication: Yüksektepe, Çiĝdem; Saraçoĝlu, Hanife; Koca, Murat; Çukurovali, Alaaddin; Çalıs̨kan, Nezihe
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 7
• Pages of publication: o509 - o510
• a: 6.1497 ± 0.0007 Å
• b: 14.6894 ± 0.0019 Å
• c: 16.922 ± 0.002 Å
• α: 90°
• β: 92.6 ± 0.01°
• γ: 90°
• Cell volume: 1527.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0724
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.0983
• Goodness-of-fit parameter for all reflections included in the refinement: 0.828
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes