| Crystal data |
| Chemical formula |
C14H18O6·H2O |
|
M
r
|
300.30 |
| Crystal system, space group |
Monoclinic, P21
|
| Temperature (K) |
200 |
|
a, b, c (Å) |
8.9794 (6), 4.8475 (3), 17.3824 (11) |
| β (°) |
103.927 (2) |
|
V (Å3) |
734.37 (8) |
|
Z
|
2 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
0.11 |
| Crystal size (mm) |
0.50 × 0.13 × 0.07 |
| |
| Data collection |
| Diffractometer |
Bruker APEXII CCD |
| Absorption correction |
Multi-scan (SADABS; Krause et al., 2015 ▸) |
|
Tmin, Tmax
|
0.705, 0.746 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
41341, 3652, 3442 |
|
R
int
|
0.033 |
| (sin θ/λ)max (Å−1) |
0.667 |
| |
| Refinement |
|
R[F2 > 2σ(F2)], wR(F2), S
|
0.030, 0.081, 1.06 |
| No. of reflections |
3652 |
| No. of parameters |
204 |
| No. of restraints |
4 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.25, −0.16 |
| Absolute structure |
Flack x determined using 1467 quotients [(I+)−(I−)]/[(I+)+(I−)] (Parsons et al., 2013 ▸) |
| Absolute structure parameter |
−0.17 (16) |
