Table 3.
Crystal data and parameters for the structure refinement of 7 and 9.
| Compound | 7 | 9 |
|---|---|---|
| CCDC Number | 1548734 | 1548733 |
| Molecular Formula | C19H20O6 | C18H18O5 |
| Molecular Weight | 344.35 | 314.32 |
| Crystal System | Triclinic | Orthorhombic |
| Space Group | Pī | Pbca |
| a (Å) | 8.4560 (17) | 14.447 (3) |
| b (Å) | 8.4790 (17) | 7.9755 (15) |
| c (Å) | 12.549 (3) | 26.203 (5) |
| α (°) | 104.166 (3) | 90 |
| β (°) | 92.063 (3) | 90 |
| γ (°) | 106.227 (3) | 90 |
| V (Å3) | 832.4 (3) | 3019.0 (10) |
| Z | 2 | 8 |
| Dcalc (g cm−3) | 1.374 | 1.383 |
| Crystal dimensions (mm) | 0.58 × 0.18 × 0.11 | 0.55 × 0.27 × 0.14 |
| μ (mm−1) | 0.10 | 0.10 |
| Tmin/Tmax | 0.7665, 0.9584 | 0.8489, 0.9495 |
| Reflections measured | 28,367 | 14,974 |
| Ranges/indices (h, k, l) | −11→11; −11→11; −17→17 | −16→16; −9→9; −30→28 |
| θ limit (°) | 1.7−29.2 | 1.6−24.6 |
| Unique reflections | 4491 | 2516 |
| Observed reflections (I > 2σ(I)) | 2352 | 1594 |
| Parameters | 234 | 211 |
| Goodness of fit on F2 | 1.02 | 1.05 |
| R1, wR2 [I ≥ 2σ(I)] | 0.055, 0.176 | 0.056, 0.156 |