Information card for entry 1518734

Structure parameters

• Chemical name: 3-Methoxy-1-(naphthalen-2-yl)-2-phenylpropan-1-one
• Formula: C20 H18 O2
• Calculated formula: C20 H18 O2
• SMILES: O=C(c1cc2c(cc1)cccc2)C(c1ccccc1)COC
• Title of publication: A triphenylphosphine mediated photo-rearrangement and methanol addition of aryl chalcones to 1-propanones.
• Authors of publication: Sun, Qiu; Yao, Chang Jiang; König, Burkhard
• Journal of publication: Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology
• Year of publication: 2015
• Journal volume: 14
• Journal issue: 5
• Pages of publication: 948 - 952
• a: 8.7862 ± 0.0002 Å
• b: 16.6613 ± 0.0003 Å
• c: 11.1995 ± 0.0003 Å
• α: 90°
• β: 112.702 ± 0.003°
• γ: 90°
• Cell volume: 1512.47 ± 0.07 ų
• Cell temperature: 123 ± 0.14 K
• Ambient diffraction temperature: 123 ± 0.14 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: 0.039
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.0957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No