Table 2. Experimental details.
| Crystal data | |
| Chemical formula | C12H16O4 |
| M r | 224.25 |
| Crystal system, space group | Monoclinic, P21/n |
| Temperature (K) | 173 |
| a, b, c (Å) | 14.2527 (8), 4.7524 (3), 17.6489 (11) |
| β (°) | 103.538 (4) |
| V (Å3) | 1162.22 (12) |
| Z | 4 |
| Radiation type | Cu Kα |
| μ (mm−1) | 0.79 |
| Crystal size (mm) | 0.12 × 0.10 × 0.10 |
| Data collection | |
| Diffractometer | RIGAKU R-AXIS RAPID II |
| Absorption correction | Multi-scan (ABSCOR; Higashi, 1995 ▸) |
| T min, T max | 0.789, 0.924 |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 12627, 2087, 1762 |
| R int | 0.036 |
| (sin θ/λ)max (Å−1) | 0.602 |
| Refinement | |
| R[F 2 > 2σ(F 2)], wR(F 2), S | 0.045, 0.136, 1.14 |
| No. of reflections | 2087 |
| No. of parameters | 158 |
| H-atom treatment | H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) | 0.29, −0.18 |