| Crystal data |
| Chemical formula |
C22H28NO6S3
|
|
M
r
|
498.66 |
| Crystal system, space group |
Triclinic, P\overline{1} |
| Temperature (K) |
293 |
|
a, b, c (Å) |
10.6886 (5), 11.4878 (5), 11.8389 (6) |
| α, β, γ (°) |
76.007 (1), 65.584 (1), 63.213 (1) |
|
V (Å3) |
1178.87 (10) |
|
Z
|
2 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
0.35 |
| Crystal size (mm) |
0.30 × 0.20 × 0.10 |
| |
| Data collection |
| Diffractometer |
Bruker SMART APEXII CCD |
| Absorption correction |
Multi-scan (SADABS; Bruker, 2009 ▸) |
|
T
min, T
max
|
0.864, 1.0 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
21855, 4375, 3774 |
|
R
int
|
0.021 |
| (sin θ/λ)max (Å−1) |
0.606 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.044, 0.134, 1.05 |
| No. of reflections |
4375 |
| No. of parameters |
337 |
| No. of restraints |
90 |
| H-atom treatment |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.33, −0.56 |
