Information card for entry 2203824

Structure parameters

• Formula: C19 H18 O2
• Calculated formula: C19 H18 O2
• SMILES: c12ccccc1cc(C(=O)Cc1c(cc(cc1C)C)C)o2
• Title of publication: 1-(1-Benzofuran-2-yl)-2-mesitylethanone
• Authors of publication: Arıcı, Cengiz; Ülkü, Dinçer; Kırılmış, Cumhur; Koca, Murat; Ahmedzade, Misir
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 6
• Pages of publication: o941 - o942
• a: 8.133 ± 0.005 Å
• b: 15.762 ± 0.005 Å
• c: 11.752 ± 0.005 Å
• α: 90 ± 0.005°
• β: 95.231 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 1500.2 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No