| Crystal data |
| Chemical formula |
C13H16O4
|
|
M
r
|
236.26 |
| Crystal system, space group |
Monoclinic, C2 |
| Temperature (K) |
296 |
|
a, b, c (Å) |
17.4126 (13), 5.0996 (4), 14.9856 (11) |
| β (°) |
109.652 (2) |
|
V (Å3) |
1253.17 (16) |
|
Z
|
4 |
| Radiation type |
Cu Kα |
| μ (mm−1) |
0.77 |
| Crystal size (mm) |
0.38 × 0.26 × 0.12 |
| |
| Data collection |
| Diffractometer |
Bruker D8 Venture/Photon 100 CMOS |
| Absorption correction |
Multi-scan (SADABS; Krause et al., 2015 ▸) |
|
Tmin, Tmax
|
0.646, 0.754 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
10420, 2628, 2138 |
|
R
int
|
0.049 |
| (sin θ/λ)max (Å−1) |
0.642 |
| |
| Refinement |
|
R[F2 > 2σ(F2)], wR(F2), S
|
0.080, 0.248, 1.13 |
| No. of reflections |
2628 |
| No. of parameters |
157 |
| No. of restraints |
3 |
| H-atom treatment |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.41, −0.21 |
| Absolute structure |
Flack x determined using 752 quotients [(I+)−(I−)]/[(I+)+(I−)] (Parsons et al., 2013 ▸) |
| Absolute structure parameter |
0.1 (4) |
