| Crystal data |
| Chemical formula |
C26H38O5S |
C26H38O5S |
|
M
r
|
462.62 |
462.62 |
| Crystal system, space group |
Orthorhombic, P212121
|
Orthorhombic, P212121
|
| Temperature (K) |
110 |
100 |
|
a, b, c (Å) |
6.4201 (2), 17.6239 (7), 20.8997 (8) |
6.0146 (2), 19.2817 (7), 20.9887 (7) |
|
V (Å3) |
2364.74 (15) |
2434.10 (14) |
|
Z
|
4 |
4 |
| Radiation type |
Mo Kα |
Cu Kα |
| μ (mm−1) |
0.17 |
1.46 |
| Crystal size (mm) |
0.46 × 0.25 × 0.24 |
0.18 × 0.06 × 0.05 |
| |
| Data collection |
| Diffractometer |
Nonius Kappa APEXII |
Bruker D8 Venture |
| Absorption correction |
Multi-scan (SADABS; Krause et al., 2015 ▸) |
Multi-scan (SADABS; Krause et al., 2015 ▸) |
|
T
min, T
max
|
0.912, 0.958 |
0.707, 0.862 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
74424, 5424, 5180 |
30900, 4303, 3803 |
|
R
int
|
0.034 |
0.102 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.028, 0.072, 1.04 |
0.055, 0.130, 1.07 |
| No. of reflections |
5424 |
4303 |
| No. of parameters |
296 |
329 |
| No. of restraints |
0 |
16 |
| H-atom treatment |
H-atom parameters constrained |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.26, −0.23 |
0.26, −0.39 |
| Absolute structure |
Flack x determined using 2176 quotients [(I
+)−(I
−)]/[(I
+)+(I
−)] (Parsons et al., 2013 ▸) |
Flack x obtained from refinement |
| Absolute structure parameter |
0.027 (13) |
0.11 (4) |
