| Crystal data | |
| C7H14O6 | Dx = 1.521 Mg m−3 |
| Mr = 194.19 | Mo - Kα radiation |
| Orthorhombic, P212121 | Cell parameters from 5715 reflections |
| a = 6.5756 (4) Å | θ = 3–27° |
| b = 11.0565 (7) Å | μ = 0.13 mm−1 |
| c = 11.6622 (9) Å | T = 150 K |
| V = 847.88 (10) Å3 | Plate, colourless |
| Z = 4 | 0.48 × 0.44 × 0.23 mm |
| Data collection | |
| Nonius KappaCCD diffractometer | 1151 independent reflections |
| ω scans | 974 reflections with > 2.0σ(I) |
| Absorption correction:
multi-scan (Otowinwski & Minor, 1997) |
Rint = 0.035 |
| Tmin = 0.926, Tmax = 0.972 | θmax = 27.5° |
| 5715 measured reflections | |
| Refinement | |
| Refinement on F2 | 1/[σ2(Fo2) + (0.0543P)2]
where P = (Fo2 + 2Fc2)/3 |
| R[F2 > 2σ(F2)] = 0.034 | (Δ/σ)max < 0.001 |
| wR(F2) = 0.085 | Δρmax = 0.19 e Å−3 |
| S = 1.05 | Δρmin = −0.20 e Å−3 |
| 1151 reflections | Extinction correction: SHELXL97 (Sheldrick 1997) |
| 140 parameters | Extinction coefficient: 0.036 (5) |
| H atoms treated by a mixture of independent and constrained refinement |