Information card for entry 2231300

Structure parameters

• Chemical name: 3-(2-Methoxynaphthalen-1-yl)-2-benzofuran-1(3<i>H</i>)-one
• Formula: C19 H14 O3
• Calculated formula: C19 H14 O3
• SMILES: c1cccc2c1ccc(c2C1c2ccccc2C(=O)O1)OC
• Title of publication: 3-(2-Methoxynaphthalen-1-yl)-2-benzofuran-1(3<i>H</i>)-one
• Authors of publication: Silambarasan, V.; Sundaramoorthy, S.; Sivasakthikumaran, R.; Mohanakrishnan, A. K.; Velmurugan, D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o1973
• a: 13.2572 ± 0.0005 Å
• b: 11.856 ± 0.0004 Å
• c: 18.616 ± 0.0007 Å
• α: 90°
• β: 91.657 ± 0.002°
• γ: 90°
• Cell volume: 2924.79 ± 0.18 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0815
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes