Table 6. Experimental details.
| Crystal data | |
| Chemical formula | C11H11NO3 |
| M r | 205.21 |
| Crystal system, space group | Trigonal, R
 :H
|
| Temperature (K) | 296 |
| a, c (Å) | 26.3146 (14), 8.1205 (5) |
| V (Å3) | 4869.8 (6) |
| Z | 18 |
| Radiation type | Mo Kα |
| μ (mm−1) | 0.09 |
| Crystal size (mm) | 0.34 × 0.28 × 0.16 |
| Data collection | |
| Diffractometer | Bruker APEXII CCD |
| Absorption correction | Multi-scan (SADABS; Sheldrick, 1996 ▸) |
| T min, T max | 0.440, 0.745 |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 10643, 2230, 1513 |
| R int | 0.080 |
| (sin θ/λ)max (Å−1) | 0.627 |
| Refinement | |
| R[F 2 > 2σ(F 2)], wR(F 2), S | 0.053, 0.149, 1.05 |
| No. of reflections | 2230 |
| No. of parameters | 139 |
| No. of restraints | 1 |
| H-atom treatment | H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) | 0.16, −0.27 |