Information card for entry 2233718

Structure parameters

• Chemical name: (3-Ethyl-6,7-dimethoxynaphthalen-1-yl)(phenyl)methanone
• Formula: C21 H20 O3
• Calculated formula: C21 H20 O3
• SMILES: O=C(c1cc(cc2c1cc(OC)c(OC)c2)CC)c1ccccc1
• Title of publication: (3-Ethyl-6,7-dimethoxynaphthalen-1-yl)(phenyl)methanone
• Authors of publication: Sakthivel, Karuppusamy; Srinivasan, Kannupal; Natarajan, Sampath
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o652
• a: 9.9012 ± 0.0002 Å
• b: 11.3431 ± 0.0002 Å
• c: 16.0701 ± 0.0003 Å
• α: 100.17 ± 0.001°
• β: 90.487 ± 0.001°
• γ: 98.373 ± 0.001°
• Cell volume: 1756.46 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0928
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.1831
• Weighted residual factors for all reflections included in the refinement: 0.2135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes