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55349094489
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Crystal data for 4aa: C16H16N 2O2, Mr, 268.31, colorless crystal (0.41 × 0.15 × 0.05 mm, monoclinic, space group P21/c, a, 8.6609(4) Å, b, 6.0272(3) Å, c, 27.1719(13) Å, β, 105.494(4)°, V, 1366.85(11) Å3, Z, 4, T, 296(2) K, Pcalcd, 1-304 g-cm-3, F (000, 568, μ, 0.087 mm-1, R1, 0.0594, wR2, 0.1527 and S, 1.048 for 1810 reflections with I > 2σI, The structure was solved by direction methods and difference Fourier syntheses. Nonhydrogen atoms were refined anisotropically, and all hydrogen atoms were placed at ideal positions and allowed to ride. The crystallographic calculations were conducted using the SHELXL-97 programs. Detail crystallographic data of 4aa have been deposited at Cambridge Crystallographic Data Center u
-
1 = 0.0594, wR2 = 0.1527 and S = 1.048 for 1810 reflections with I > 2σ(I). The structure was solved by direction methods and difference Fourier syntheses. Nonhydrogen atoms were refined anisotropically, and all hydrogen atoms were placed at ideal positions and allowed to ride. The crystallographic calculations were conducted using the SHELXL-97 programs. Detail crystallographic data of 4aa have been deposited at Cambridge Crystallographic Data Center under CCDC-687432. These data can be obtained free of charge from www.ccdc.cam.ac.uk/conts/retrieving.html [or from the Cambridge Crystallographic Data Centre, 12, Union Road, Cambridge CB2 IEZ, UK; fax: +44 1223 336 033; e-mail: deposit@ccdc.cam.ac.uk.
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