| Crystal data |
| Chemical formula |
C8H14O4
|
C16H26O7
|
|
M
r
|
174.19 |
330.37 |
| Crystal system, space group |
Monoclinic, C2/c
|
Triclinic, P
|
| Temperature (K) |
150 |
100 |
|
a, b, c (Å) |
16.9457 (8), 9.6453 (5), 12.1052 (6) |
10.355 (4), 11.928 (5), 14.496 (6) |
| α, β, γ (°) |
90, 116.986 (1), 90 |
73.128 (5), 84.900 (5), 89.499 (6) |
|
V (Å3) |
1763.12 (15) |
1706.3 (11) |
|
Z
|
8 |
4 |
| Radiation type |
Mo Kα |
Mo Kα |
| μ (mm−1) |
0.11 |
0.10 |
| Crystal size (mm) |
0.35 × 0.32 × 0.25 |
0.30 × 0.30 × 0.22 |
| |
| Data collection |
| Diffractometer |
Bruker SMART APEX CCD |
Bruker SMART APEX CCD |
| Absorption correction |
Multi-scan (SADABS; Krause et al., 2015 ▸) |
Multi-scan (SADABS; Krause et al., 2015 ▸) |
|
T
min, T
max
|
0.91, 0.97 |
0.97, 0.98 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
16506, 2367, 2035 |
30041, 8606, 7451 |
|
R
int
|
0.026 |
0.044 |
| (sin θ/λ)max (Å−1) |
0.685 |
0.687 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.039, 0.113, 1.07 |
0.040, 0.109, 1.04 |
| No. of reflections |
2367 |
8606 |
| No. of parameters |
165 |
427 |
| H-atom treatment |
All H-atom parameters refined |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.44, −0.18 |
0.35, −0.32 |
