| Crystal data |
| Chemical formula |
2C24H25FO5S·H2O |
|
M
r
|
907.02 |
| Crystal system, space group |
Orthorhombic, P212121
|
| Temperature (K) |
296 |
|
a, b, c (Å) |
8.4259 (4), 11.4264 (7), 45.706 (2) |
|
V (Å3) |
4400.4 (4) |
|
Z
|
4 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
0.19 |
| Crystal size (mm) |
0.48 × 0.28 × 0.26 |
| |
| Data collection |
| Diffractometer |
Rigaku R-AXIS RAPID |
| Absorption correction |
Multi-scan (ABSCOR; Higashi, 1995 ▸) |
|
T
min, T
max
|
0.914, 0.952 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
43211, 9958, 5079 |
|
R
int
|
0.145 |
| (sin θ/λ)max (Å−1) |
0.649 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.080, 0.147, 1.00 |
| No. of reflections |
9958 |
| No. of parameters |
575 |
| H-atom treatment |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.38, −0.29 |
| Absolute structure |
Flack (1983 ▸), 3246 Friedel pairs |
| Absolute structure parameter |
0.13 (11) |
