Table 2. Experimental details.
| Crystal data | |
| Chemical formula | C21H21O5PS·CH2Cl2·H2O |
| M r | 519.35 |
| Crystal system, space group | Monoclinic, P21/n |
| Temperature (K) | 100 |
| a, b, c (Å) | 9.6437 (6), 15.9441 (11), 15.9641 (11) |
| β (°) | 105.051 (2) |
| V (Å3) | 2370.4 (3) |
| Z | 4 |
| Radiation type | Mo Kα |
| μ (mm−1) | 0.47 |
| Crystal size (mm) | 0.32 × 0.18 × 0.12 |
| Data collection | |
| Diffractometer | Bruker D8 Venture PHOTON 100 CMOS |
| Absorption correction | Multi-scan (SADABS; Bruker, 2014 ▸) |
| T min, T max | 0.693, 0.745 |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 53574, 4888, 4349 |
| R int | 0.030 |
| (sin θ/λ)max (Å−1) | 0.627 |
| Refinement | |
| R[F 2 > 2σ(F 2)], wR(F 2), S | 0.038, 0.106, 1.05 |
| No. of reflections | 4888 |
| No. of parameters | 304 |
| H-atom treatment | H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) | 0.48, −0.66 |