Table 2. Experimental details.
Crystal data | |
Chemical formula | C26H30N2O4 |
M r | 434.52 |
Crystal system, space group | Orthorhombic, P b c a |
Temperature (K) | 173 |
a, b, c (Å) | 19.998 (3), 9.7472 (9), 23.540 (3) |
V (Å3) | 4588.5 (10) |
Z | 8 |
Radiation type | Mo Kα |
μ (mm−1) | 0.09 |
Crystal size (mm) | 0.22 × 0.19 × 0.16 |
Data collection | |
Diffractometer | Stoe IPDS II two-circle |
Absorption correction | Multi-scan (X-AREA; Stoe & Cie, 2001 ▸) |
T min, T max | 0.664, 1.000 |
No. of measured, independent and observed [I > 2σ(I)] reflections | 18262, 4311, 2335 |
R int | 0.081 |
(sin θ/λ)max (Å−1) | 0.609 |
Refinement | |
R[F 2 > 2σ(F 2)], wR(F 2), S | 0.060, 0.109, 0.95 |
No. of reflections | 4311 |
No. of parameters | 399 |
No. of restraints | 547 |
H-atom treatment | H atoms treated by a mixture of independent and constrained refinement |
Δρmax, Δρmin (e Å−3) | 0.16, −0.16 |