Table 3. Experimental details.
| Crystal data | |
| Chemical formula | C12H10O4 |
| M r | 218.20 |
| Crystal system, space group | Monoclinic, P21/c |
| Temperature (K) | 293 |
| a, b, c (Å) | 12.1179 (4), 5.7243 (2), 15.3275 (5) |
| β (°) | 94.881 (3) |
| V (Å3) | 1059.36 (6) |
| Z | 4 |
| Radiation type | Cu Kα |
| μ (mm−1) | 0.87 |
| Crystal size (mm) | 0.46 × 0.16 × 0.08 |
| Data collection | |
| Diffractometer | Agilent SuperNova Dual (Cu at zero) Source diffractometer with an AtlasS2 detector |
| Absorption correction | Multi-scan (CrysAlis PRO; Agilent, 2014 ▸) |
| T min, T max | 0.778, 1.000 |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 6028, 1930, 1655 |
| R int | 0.020 |
| (sin θ/λ)max (Å−1) | 0.605 |
| Refinement | |
| R[F 2 > 2σ(F 2)], wR(F 2), S | 0.038, 0.117, 1.06 |
| No. of reflections | 1930 |
| No. of parameters | 145 |
| H-atom treatment | H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) | 0.16, −0.16 |