| Crystal data |
| Chemical formula |
C17H7F8N3O |
|
M
r
|
421.26 |
| Crystal system, space group |
Orthorhombic, P212121
|
| Temperature (K) |
150 |
|
a, b, c (Å) |
6.7605 (6), 15.065 (1), 16.0849 (9) |
|
V (Å3) |
1638.2 (2) |
|
Z
|
4 |
| Radiation type |
Cu Kα |
| μ (mm−1) |
1.55 |
| Crystal size (mm) |
0.43 × 0.12 × 0.08 |
| |
| Data collection |
| Diffractometer |
New Gemini, Dual, Cu at home/near, Atlas |
| Absorption correction |
Analytical (CrysAlis PRO; Rigaku OD, 2021 ▸) |
|
T
min, T
max
|
0.320, 0.678 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
15249, 3187, 2311 |
|
R
int
|
0.088 |
| (sin θ/λ)max (Å−1) |
0.618 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.047, 0.109, 1.03 |
| No. of reflections |
3187 |
| No. of parameters |
264 |
| H-atom treatment |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.18, −0.18 |
| Absolute structure |
Refined as an inversion twin. |
| Absolute structure parameter |
0.2 (3) |
