| Crystal data |
| Chemical formula |
C12H19NO6
|
|
M
r
|
273.28 |
| Crystal system, space group |
Monoclinic, P21
|
| Temperature (K) |
90 |
|
a, b, c (Å) |
8.2102 (3), 9.9513 (3), 8.7480 (3) |
| β (°) |
108.142 (2) |
|
V (Å3) |
679.20 (4) |
|
Z
|
2 |
| Radiation type |
Cu Kα |
| μ (mm−1) |
0.91 |
| Crystal size (mm) |
0.14 × 0.14 × 0.07 |
| |
| Data collection |
| Diffractometer |
Bruker D8 Venture |
| Absorption correction |
Multi-scan (SADABS; Bruker, 2014 ▸) |
|
T
min, T
max
|
0.88, 0.94 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
8304, 2386, 2235 |
|
R
int
|
0.039 |
| (sin θ/λ)max (Å−1) |
0.596 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.032, 0.068, 1.00 |
| No. of reflections |
2386 |
| No. of parameters |
177 |
| No. of restraints |
1 |
| H-atom treatment |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.20, −0.18 |
| Absolute structure |
Flack x determined using 941 quotients [(I
+)−(I
−)]/[(I
+)+(I
−)] (Parsons et al., 2013 ▸) |
| Absolute structure parameter |
0.13 (11) |
