| Crystal data |
| Chemical formula |
C14H12O4
|
|
M
r
|
244.24 |
| Crystal system, space group |
Orthorhombic, Pca21
|
| Temperature (K) |
100 |
|
a, b, c (Å) |
13.7387 (12), 20.547 (2), 8.4283 (9) |
|
V (Å3) |
2379.2 (4) |
|
Z
|
8 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
0.10 |
| Crystal size (mm) |
0.40 × 0.07 × 0.03 |
| |
| Data collection |
| Diffractometer |
Bruker APEX DUO 4K CCD |
| Absorption correction |
Multi-scan (SADABS; Krause et al., 2015 ▸) |
|
Tmin, Tmax
|
0.487, 0.749 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
12893, 5028, 3236 |
|
R
int
|
0.072 |
| (sin θ/λ)max (Å−1) |
0.670 |
| |
| Refinement |
|
R[F2 > 2σ(F2)], wR(F2), S
|
0.052, 0.111, 1.00 |
| No. of reflections |
5028 |
| No. of parameters |
326 |
| No. of restraints |
1 |
| H-atom treatment |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.22, −0.25 |
| Absolute structure |
Flack x determined using 833 quotients [(I+)−(I−)]/[(I+)+(I−)] (Parsons et al., 2013 ▸) |
| Absolute structure parameter |
−1.6 (10) |
