| Crystal data |
| Chemical formula |
C10H10O4
|
|
M
r
|
194.18 |
| Crystal system, space group |
Orthorhombic, P212121
|
| Temperature (K) |
125 |
|
a, b, c (Å) |
9.1047 (10), 10.0086 (11), 10.5871 (11) |
|
V (Å3) |
964.75 (18) |
|
Z
|
4 |
| Radiation type |
Cu Kα |
| μ (mm−1) |
0.88 |
| Crystal size (mm) |
0.26 × 0.26 × 0.17 |
| |
| Data collection |
| Diffractometer |
Bruker APEXII CCD |
| Absorption correction |
Multi-scan (SADABS; Bruker, 2013 ▸) |
|
T
min, T
max
|
0.74, 0.86 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
8953, 1698, 1693 |
|
R
int
|
0.030 |
| (sin θ/λ)max (Å−1) |
0.595 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.025, 0.062, 1.10 |
| No. of reflections |
1698 |
| No. of parameters |
131 |
| No. of restraints |
1 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.19, −0.19 |
| Absolute structure |
Flack x determined using 691 quotients [(I
+)−(I
−)]/[(I
+)+(I
−)] (Parsons et al., 2013 ▸); Hooft y calculated with PLATON (Spek, 2009 ▸) |
| Absolute structure parameter |
−0.01 (4) |
