Table 3.
Crystallographic and experimental dataa for compound 8.
| Crystal data | |
| Empirical formula | C16H20O5 |
| Formula weight | 292.32 |
| Crystal size | 1.00 x 0.36 x 0.18 mm |
| Crystal description | Needle |
| Crystal colour | Colourless |
| Crystal system | Orthorhombic |
| Space group | P212121 |
| Unit cell dimensions | a = 8.0419(2) Å |
| b = 10.0156(2) Å | |
| c = 19.2682(3) Å | |
| Volume | 1551.95(6) Å3 |
| Z | 4 |
| Calculated density | 1.251 Mg/m3 |
| Absorption coefficient | 0.093 mm−1 |
| F(000) | 624 |
| Data collection | |
| Measurement device type | Siemens SMART CCD |
| Measurement method | ω-scans |
| Temperature | 173(2) K |
| Wavelength | 0.71073 Å |
| Monochromator | Graphite |
| θ range for data collection | 2.11 to 28.33° |
| Index ranges | −10 ≤ h ≤10, −13 ≤ k ≤13, −25 ≤ l ≤25 |
| Reflections collected/unique | 21019/2217 [R(int) = 0.0496] |
| Completeness to θ = 28.33° | 99.7% |
| Absorption correction | Multi-scan |
| Max. and min. transmission | 0.9835 and 0.9132 |
| Refinement | |
| Refinement method | Full-matrix least-squares on F2 |
| Data/restraints/parameters | 2217/0/214 |
| Goodness-of-fit on F2 | 1.025 |
| Final R indices [I>2σ(I)] | R1 = 0.0322, wR2 = 0.0797 |
| R indices (all data) | R1 = 0.0398, wR2 = 0.0850 |
| Largest diff. peak and hole | 0.198 and −0.149 e·Å−3 |
aStandard deviations in parentheses.