Table 2. Experimental details.
| Crystal data | |
| Chemical formula | 2C29H40N4O·3H2O |
| M r | 975.34 |
| Crystal system, space group | Monoclinic, P21/n |
| Temperature (K) | 123 |
| a, b, c (Å) | 8.2668 (1), 30.7552 (7), 23.8216 (4) |
| β (°) | 91.142 (1) |
| V (Å3) | 6055.37 (19) |
| Z | 4 |
| Radiation type | Mo Kα |
| μ (mm−1) | 0.07 |
| Crystal size (mm) | 0.32 × 0.14 × 0.11 × 0.09 (radius) |
| Data collection | |
| Diffractometer | Stoe Stadivari |
| Absorption correction | Integration (X-RED32, Stoe, 2024 ▸) |
| Tmin, Tmax | 0.982, 0.995 |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 68973, 13195, 10231 |
| R int | 0.028 |
| (sin θ/λ)max (Å−1) | 0.639 |
| Refinement | |
| R[F2 > 2σ(F2)], wR(F2), S | 0.048, 0.122, 1.02 |
| No. of reflections | 13195 |
| No. of parameters | 691 |
| No. of restraints | 12 |
| H-atom treatment | H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) | 0.32, −0.23 |