| Crystal data |
| Chemical formula |
C20H20B2F4N4
|
|
M
r
|
414.02 |
| Crystal system, space group |
Orthorhombic, P
n
m
a
|
| Temperature (K) |
110 |
|
a, b, c (Å) |
20.2495 (9), 6.8046 (5), 13.4969 (5) |
|
V (Å3) |
1859.74 (17) |
|
Z
|
4 |
| Radiation type |
Cu Kα |
| μ (mm−1) |
0.99 |
| Crystal size (mm) |
0.25 × 0.14 × 0.13 |
| |
| Data collection |
| Diffractometer |
Rigaku Oxford Diffraction SuperNova, Dual, Cu at zero, AtlasS2 |
| Absorption correction |
Multi-scan (CrysAlis PRO; Rigaku OD, 2015 ▸) |
|
T
min, T
max
|
0.478, 1.000 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
4486, 1815, 1375 |
|
R
int
|
0.046 |
| (sin θ/λ)max (Å−1) |
0.597 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.048, 0.126, 1.01 |
| No. of reflections |
1815 |
| No. of parameters |
179 |
| No. of restraints |
6 |
| H-atom treatment |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.27, −0.32 |
