Information card for entry 1515708

Structure parameters

• Formula: C17 H16 O3
• Calculated formula: C17 H16 O3
• SMILES: O(c1ccc(cc1)/C=C/C(=O)Oc1ccccc1C)C
• Title of publication: Photoexcited triplet states of new UV absorbers, cinnamic acid 2-methylphenyl esters.
• Authors of publication: Kikuchi, Azusa; Saito, Haruo; Mori, Masao; Yagi, Mikio
• Journal of publication: Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology
• Year of publication: 2011
• Journal volume: 10
• Journal issue: 12
• Pages of publication: 1902 - 1909
• a: 11.979 ± 0.013 Å
• b: 7.958 ± 0.008 Å
• c: 15.235 ± 0.016 Å
• α: 90°
• β: 104.894 ± 0.013°
• γ: 90°
• Cell volume: 1404 ± 3 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 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: 0.0381
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No