| Crystal data |
| Chemical formula |
C20H9F21O3
|
|
M
r
|
696.26 |
| Crystal system, space group |
Monoclinic, P21/c
|
| Temperature (K) |
100 |
|
a, b, c (Å) |
7.0271 (1), 19.2243 (1), 17.7558 (1) |
| β (°) |
97.332 (1) |
|
V (Å3) |
2379.04 (4) |
|
Z
|
4 |
| Radiation type |
Cu Kα |
| μ (mm−1) |
2.21 |
| Crystal size (mm) |
0.23 × 0.09 × 0.07 |
| |
| Data collection |
| Diffractometer |
XtaLAB Synergy, Dualflex, HyPix3000 |
| Absorption correction |
Gaussian [CrysAlis PRO; Rigaku OD, 2019 ▸) |
|
Tmin, Tmax
|
0.681, 1.000 |
| No. of measured, independent and observed [I ≥ 2u(I)] reflections |
23552, 4403, 4160 |
|
R
int
|
0.020 |
| (sin θ/λ)max (Å−1) |
0.605 |
| |
| Refinement |
|
R[F2 > 2σ(F2)], wR(F2), S
|
0.037, 0.088, 1.07 |
| No. of reflections |
4403 |
| No. of parameters |
398 |
| H-atom treatment |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.90, −0.49 |