Table 2. Experimental details.
| Crystal data | |
| Chemical formula | C12H10O4 |
| M r | 218.20 |
| Crystal system, space group | Orthorhombic, P b c a |
| Temperature (K) | 293 |
| a, b, c (Å) | 9.4973 (13), 7.9733 (11), 26.682 (4) |
| V (Å3) | 2020.5 (5) |
| Z | 8 |
| Radiation type | Mo Kα |
| μ (mm−1) | 0.11 |
| Crystal size (mm) | 0.40 × 0.35 × 0.30 × 0.15 (radius) |
| Data collection | |
| Diffractometer | Bruker APEXII area detector |
| Absorption correction | For a sphere [the interpolation procedure of Dwiggins (1975 ▸) was used with some modification] |
| T min, T max | 0.861, 0.862 |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 15317, 2453, 1798 |
| R int | 0.045 |
| (sin θ/λ)max (Å−1) | 0.667 |
| Refinement | |
| R[F 2 > 2σ(F 2)], wR(F 2), S | 0.041, 0.116, 1.10 |
| No. of reflections | 2453 |
| No. of parameters | 148 |
| H-atom treatment | H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) | 0.20, −0.19 |