Information card for entry 2209817

Structure parameters

• Chemical name: 5-tert-Butyl-3-{[6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2- dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yloxy]methyl}-2- hydroxybenzaldehyde
• Formula: C24 H34 O8
• Calculated formula: C24 H34 O8
• SMILES: O1[C@@H]([C@@H]2OC(O[C@@H]2[C@@H]1OCc1c(O)c(cc(c1)C(C)(C)C)C=O)(C)C)[C@@H]1OC(OC1)(C)C
• Title of publication: 5-<i>tert</i>-Butyl-3-{[6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyltetrahydrofuro[3,4-<i>d</i>][1,3]dioxol-4-yloxy]methyl}-2-hydroxybenzaldehyde
• Authors of publication: Zhao, Shan-Shan; Zhao, Ji-Quan; Li, Jian-Xun; Wang, Qian; Zhao, Dong-Min
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: o3372 - o3373
• a: 12.788 ± 0.0019 Å
• b: 6.7749 ± 0.001 Å
• c: 26.859 ± 0.004 Å
• α: 90°
• β: 92.118 ± 0.002°
• γ: 90°
• Cell volume: 2325.4 ± 0.6 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0507
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes