| Crystal data |
| Chemical formula |
C20H26N2O9S |
|
M
r
|
470.49 |
| Crystal system, space group |
Monoclinic, P21
|
| Temperature (K) |
100 |
|
a, b, c (Å) |
11.4868 (2), 8.6444 (2), 11.5561 (2) |
| β (°) |
91.3762 (16) |
|
V (Å3) |
1147.14 (4) |
|
Z
|
2 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
0.19 |
| Crystal size (mm) |
0.40 × 0.40 × 0.08 |
| |
| Data collection |
| Diffractometer |
Oxford Diffraction Xcalibur Eos |
| Absorption correction |
Multi-scan (CrysAlis PRO; Rigaku OD, 2015 ▸) |
|
T
min, T
max
|
0.896, 1.000 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
107162, 7825, 7530 |
|
R
int
|
0.034 |
| (sin θ/λ)max (Å−1) |
0.757 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.028, 0.073, 1.04 |
| No. of reflections |
7825 |
| No. of parameters |
295 |
| No. of restraints |
1 |
| H-atom treatment |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.34, −0.21 |
| Absolute structure |
Flack x determined using 3355 quotients [(I
+)−(I
−)]/[(I
+)+(I
−)] (Parsons et al., 2013 ▸) |
| Absolute structure parameter |
−0.003 (11) |
