| Crystal data |
| Chemical formula |
C14H6F4O2
|
|
M
r
|
282.19 |
| Crystal system, space group |
Orthorhombic, P
b
c
n
|
| Temperature (K) |
100 |
|
a, b, c (Å) |
7.0588 (2), 7.4008 (2), 21.5265 (4) |
|
V (Å3) |
1124.56 (5) |
|
Z
|
4 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
0.16 |
| Crystal size (mm) |
0.30 × 0.14 × 0.10 |
| |
| Data collection |
| Diffractometer |
XtaLAB Synergy, Single source at offset/far, HyPix3000 |
| Absorption correction |
Gaussian (CrysAlis PRO; Rigaku OD, 2020 ▸) |
|
Tmin, Tmax
|
0.679, 1.000 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
13347, 1202, 1014 |
|
R
int
|
0.034 |
| (sin θ/λ)max (Å−1) |
0.641 |
| |
| Refinement |
|
R[F2 > 2σ(F
2)], wR(F
2), S
|
0.032, 0.085, 1.03 |
| No. of reflections |
1202 |
| No. of parameters |
91 |
| H-atom treatment |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.21, −0.24 |
