Table 3. Experimental details.
Crystal data | |
Chemical formula | C23H28F3NO |
M r | 391.46 |
Crystal system, space group | Monoclinic, P21/c |
Temperature (K) | 296 |
a, b, c (Å) | 15.6783 (10), 15.7880 (14), 8.7054 (5) |
β (°) | 91.217 (5) |
V (Å3) | 2154.4 (3) |
Z | 4 |
Radiation type | Mo Kα |
μ (mm−1) | 0.09 |
Crystal size (mm) | 0.72 × 0.56 × 0.09 |
Data collection | |
Diffractometer | STOE IPDS 2 |
Absorption correction | Integration (X-RED32; Stoe & Cie, 2002 ▸) |
T min, T max | 0.938, 0.992 |
No. of measured, independent and observed [I > 2σ(I)] reflections | 24168, 4981, 2875 |
R int | 0.062 |
(sin θ/λ)max (Å−1) | 0.652 |
Refinement | |
R[F 2 > 2σ(F 2)], wR(F 2), S | 0.059, 0.149, 1.01 |
No. of reflections | 4981 |
No. of parameters | 291 |
No. of restraints | 67 |
H-atom treatment | H atoms treated by a mixture of independent and constrained refinement |
Δρmax, Δρmin (e Å−3) | 0.17, −0.14 |