| Crystal data |
| Chemical formula |
C28H22O4S2
|
|
M
r
|
486.57 |
| Crystal system, space group |
Orthorhombic, Pna21
|
| Temperature (K) |
293 |
|
a, b, c (Å) |
17.2598 (3), 10.0898 (1), 13.1810 (2) |
|
V (Å3) |
2295.44 (6) |
|
Z
|
4 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
0.27 |
| Crystal size (mm) |
0.15 × 0.1 × 0.05 |
| |
| Data collection |
| Diffractometer |
Rigaku VariMax Saturn724 |
| Absorption correction |
Multi-scan (CrysAlis PRO; Rigaku OD, 2019 ▸) |
|
Tmin, Tmax
|
0.830, 1.000 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
42446, 7150, 6863 |
|
R
int
|
0.036 |
| (sin θ/λ)max (Å−1) |
0.736 |
| |
| Refinement |
|
R[F2 > 2σ(F2)], wR(F2), S
|
0.031, 0.088, 1.13 |
| No. of reflections |
7150 |
| No. of parameters |
307 |
| No. of restraints |
1 |
| H-atom treatment |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.46, −0.39 |
| Absolute structure |
Flack x determined using 3042 quotients [(I+)−(I−)]/[(I+)+(I−)] (Parsons et al., 2013 ▸) |
| Absolute structure parameter |
−0.048 (15) |
