| Crystal data |
| Chemical formula |
C8H16O6
|
|
M
r
|
208.21 |
| Crystal system, space group |
Orthorhombic, P212121
|
| Temperature (K) |
296 |
|
a, b, c (Å) |
6.8203 (8), 8.6934 (10), 15.865 (2) |
|
V (Å3) |
940.63 (19) |
|
Z
|
4 |
| Radiation type |
Cu Kα |
| μ (mm−1) |
1.09 |
| Crystal size (mm) |
0.10 × 0.10 × 0.10 |
| |
| Data collection |
| Diffractometer |
Rigaku R-AXIS RAPID |
| Absorption correction |
Multi-scan (ABSCOR; Rigaku, 1995 ▸) |
|
T
min, T
max
|
0.462, 0.897 |
| No. of measured, independent and observed [F
2 > 2.0σ(F
2)] reflections |
10373, 1721, 1602 |
|
R
int
|
0.091 |
| (sin θ/λ)max (Å−1) |
0.602 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.037, 0.090, 1.07 |
| No. of reflections |
1721 |
| No. of parameters |
127 |
| H-atom treatment |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.20, −0.27 |
| Absolute structure |
Flack x determined using 581 quotients [(I
+)−(I
−)]/[(I
+)+(I
−)] (Parsons et al., 2013 ▸) |
| Absolute structure parameter |
0.06 (12) |
