Table 2. Experimental details.
Crystal data | |
Chemical formula | C26H36N2O4 |
M r | 440.57 |
Crystal system, space group | Monoclinic, P21/n |
Temperature (K) | 100 |
a, b, c (Å) | 12.5184 (4), 9.1855 (2), 22.1339 (6) |
β (°) | 105.1331 (15) |
V (Å3) | 2456.87 (12) |
Z | 4 |
Radiation type | Mo Kα |
μ (mm−1) | 0.08 |
Crystal size (mm) | 0.42 × 0.11 × 0.06 |
Data collection | |
Diffractometer | Bruker Kappa APEXII CCD area detector |
No. of measured, independent and observed [I > 2σ(I)] reflections | 23620, 5984, 4634 |
R int | 0.031 |
(sin θ/λ)max (Å−1) | 0.663 |
Refinement | |
R[F2 > 2σ(F2)], wR(F2), S | 0.042, 0.120, 1.03 |
No. of reflections | 5984 |
No. of parameters | 300 |
No. of restraints | 1 |
H-atom treatment | H atoms treated by a mixture of independent and constrained refinement |
Δρmax, Δρmin (e Å−3) | 0.40, −0.24 |