Table 3.
Crystal Data and Details of the Structure Determination for Compound 3.
| Formula | C17 H24 O3 |
| Formula Weight | 276.36 |
| Crystal System | Monoclinic |
| Space group | P21/n (No. 14) |
| a, b, c (Å) | 14.459(9), 8.166(5), 14.459(9) |
| α, β, γ (°) | 90, 115.50(2), 90 |
| V (Å3) | 1540.9(17) |
| Z | 4 |
| d(calc) (g/cm3) | 1.191 |
| µ (MoKα) (mm−1) | 0.080 |
| F(000) | 600 |
| Crystal Size (mm) | 0.27 × 0.54 × 0.56 |
| Temperature (K) | 100 |
| Radiation, λ (Å) | MoKα, 0.71073 |
| θ Min-Max (°) | 1.7, 25.0 |
| Dataset (h, k, l ranges) | −17:16; −9:7; −17:17 |
| Tot., Uniq. Data, R(int) | 7525, 2657, 0.188 |
| Observed data [I > 2.0 σ(I)] | 2236 |
| Nref, Npar | 2657, 187 |
| R, wR2, S * | 0.0703, 0.1937, 1.06 |
| Max. and Av. Shift/Error | 0.000, 0.000 |
| Min. and Max. Resd. Dens. (e/A3) | −0.31, 0.31 |
* w = 1/[σ2(Fo2) + (0.0755P) 2 + 0.9681P] where P = (Fo2 + 2Fc2)/3