Information card for entry 1559716

Structure parameters

• Common name: meso-hydroveratroin
• Formula: C18 H22 O6
• Calculated formula: C18 H22 O6
• SMILES: c1(cc(c(cc1)OC)OC)[C@@H](O)[C@H](c1cc(c(cc1)OC)OC)O
• Title of publication: Studies on Hydrobenzoins: Preparation, Crystal Structure and Stability of Borate Complexes
• Authors of publication: Karlsson, Olov; Lundquist, Knut; Stomberg, Rolf
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1990
• Journal volume: 44
• Pages of publication: 617 - 624
• a: 8.185 ± 0.002 Å
• b: 12.605 ± 0.003 Å
• c: 8.414 ± 0.002 Å
• α: 90°
• β: 109.74 ± 0.02°
• γ: 90°
• Cell volume: 817.1 ± 0.4 ų
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No