Table 4. Experimental details.
Crystal data | |
Chemical formula | C20H15NO3 |
M r | 317.33 |
Crystal system, space group | Monoclinic, P21/n |
Temperature (K) | 150 |
a, b, c (Å) | 8.2284 (3), 13.7693 (4), 13.9230 (4) |
β (°) | 96.155 (1) |
V (Å3) | 1568.37 (9) |
Z | 4 |
Radiation type | Mo Kα |
μ (mm−1) | 0.09 |
Crystal size (mm) | 0.44 × 0.35 × 0.32 |
Data collection | |
Diffractometer | Bruker D8 QUEST PHOTON 3 diffractometer |
Absorption correction | Numerical (SADABS; Krause et al., 2015 ▸) |
T min, T max | 0.93, 0.97 |
No. of measured, independent and observed [I > 2σ(I)] reflections | 80207, 6020, 5304 |
R int | 0.025 |
(sin θ/λ)max (Å−1) | 0.774 |
Refinement | |
R[F 2 > 2σ(F 2)], wR(F 2), S | 0.046, 0.133, 1.03 |
No. of reflections | 6020 |
No. of parameters | 217 |
H-atom treatment | H-atom parameters constrained |
Δρmax, Δρmin (e Å−3) | 0.46, −0.21 |