Information card for entry 2212331

Structure parameters

• Chemical name: (2E)-3-(6-Methoxy-2-naphthyl)-1-phenylprop-2-en-1-one
• Formula: C20 H16 O2
• Calculated formula: C20 H16 O2
• SMILES: O=C(/C=C/c1cc2ccc(OC)cc2cc1)c1ccccc1
• Title of publication: (2<i>E</i>)-3-(6-Methoxy-2-naphthyl)-1-phenylprop-2-en-1-one
• Authors of publication: Yathirajan, H. S.; Mayekar, Anil N.; Sarojini, B.K.; Narayana, B.; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o1012 - o1013
• a: 14.5275 ± 0.0017 Å
• b: 17.093 ± 0.0015 Å
• c: 5.995 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1488.7 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• 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: 0.0454
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes