| Crystal data |
| Chemical formula |
C22H24N2O6
|
|
M
r
|
412.43 |
| Crystal system, space group |
Orthorhombic, P212121
|
| Temperature (K) |
296 |
|
a, b, c (Å) |
8.1864 (4), 9.2061 (5), 27.7903 (18) |
|
V (Å3) |
2094.4 (2) |
|
Z
|
4 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
0.10 |
| Crystal size (mm) |
0.68 × 0.44 × 0.22 |
| |
| Data collection |
| Diffractometer |
Stoe IPDS 2 |
| Absorption correction |
Integration (X-RED32; Stoe & Cie, 2002 ▸) |
|
T
min, T
max
|
0.945, 0.979 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
11156, 4091, 2453 |
|
R
int
|
0.037 |
| (sin θ/λ)max (Å−1) |
0.617 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.073, 0.246, 1.01 |
| No. of reflections |
4091 |
| No. of parameters |
254 |
| No. of restraints |
2 |
| H-atom treatment |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.50, −0.67 |
| Absolute structure |
Refined as an inversion twin, but the absolute structure was indeterminate |
| Absolute structure parameter |
−1 (4) |
