Table 3. Experimental details.
| Crystal data | |
| Chemical formula | C15H12F3NO3 |
| M r | 311.26 |
| Crystal system, space group | Orthorhombic, P n a21 |
| Temperature (K) | 296 |
| a, b, c (Å) | 30.790 (3), 9.0703 (6), 4.8579 (3) |
| V (Å3) | 1356.69 (17) |
| Z | 4 |
| Radiation type | Mo Kα |
| μ (mm−1) | 0.13 |
| Crystal size (mm) | 0.79 × 0.32 × 0.05 |
| Data collection | |
| Diffractometer | Stoe IPDS 2 |
| Absorption correction | Integration (X-RED32; Stoe & Cie, 2002 ▸) |
| T min, T max | 0.957, 0.995 |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 7150, 2140, 1110 |
| R int | 0.099 |
| (sin θ/λ)max (Å−1) | 0.595 |
| Refinement | |
| R[F 2 > 2σ(F 2)], wR(F 2), S | 0.062, 0.088, 0.95 |
| No. of reflections | 2140 |
| No. of parameters | 231 |
| No. of restraints | 73 |
| H-atom treatment | H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) | 0.14, −0.16 |
| Absolute structure | Refined as an inversion twin |
| Absolute structure parameter | 3 (3) |