Table 2. Experimental details.
| Crystal data | |
| Chemical formula | C12H20O4 |
| M r | 228.28 |
| Crystal system, space group | Monoclinic, C2/c |
| Temperature (K) | 120 |
| a, b, c (Å) | 9.8411 (4), 12.3319 (5), 21.0912 (10) |
| β (°) | 94.254 (4) |
| V (Å3) | 2552.56 (19) |
| Z | 8 |
| Radiation type | Mo Kα |
| μ (mm−1) | 0.09 |
| Crystal size (mm) | 0.55 × 0.29 × 0.25 |
| Data collection | |
| Diffractometer | Stoe IPDS 2T |
| Absorption correction | Integration [X-RED32 (Stoe & Cie, 2020 ▸), absorption correction by Gaussian integration (Coppens, 1970 ▸)] |
| Tmin, Tmax | 0.966, 0.982 |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 6713, 3019, 2607 |
| R int | 0.023 |
| (sin θ/λ)max (Å−1) | 0.658 |
| Refinement | |
| R[F2 > 2σ(F2)], wR(F2), S | 0.040, 0.110, 1.03 |
| No. of reflections | 3019 |
| No. of parameters | 215 |
| H-atom treatment | All H-atom parameters refined |
| Δρmax, Δρmin (e Å−3) | 0.35, −0.17 |