Table 2. Experimental details.
Crystal data | |
Chemical formula | C23H23NO |
M r | 329.42 |
Crystal system, space group | Monoclinic, P21/c |
Temperature (K) | 296 |
a, b, c (Å) | 12.6628 (4), 20.3304 (9), 7.3838 (3) |
β (°) | 104.895 (3) |
V (Å3) | 1837.01 (13) |
Z | 4 |
Radiation type | Mo Kα |
μ (mm−1) | 0.07 |
Crystal size (mm) | 0.61 × 0.47 × 0.25 |
Data collection | |
Diffractometer | Stoe IPDS 2 |
Absorption correction | Integration |
T min, T max | 0.963, 0.982 |
No. of measured, independent and observed [I > 2σ(I)] reflections | 22781, 3419, 2128 |
R int | 0.106 |
(sin θ/λ)max (Å−1) | 0.606 |
Refinement | |
R[F 2 > 2σ(F 2)], wR(F 2), S | 0.081, 0.255, 1.04 |
No. of reflections | 3419 |
No. of parameters | 226 |
No. of restraints | 19 |
H-atom treatment | H-atom parameters constrained |
Δρmax, Δρmin (e Å−3) | 0.44, −0.50 |