Information card for entry 2209294

Structure parameters

• Chemical name: 3-tert-Butyl-5-{[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl- tetrahydrofuro[2,3-d][1,3]dioxol-6-yloxy]methyl}-2-hydroxybenzaldehyde
• Formula: C24 H34 O8
• Calculated formula: C24 H34 O8
• SMILES: Oc1c(cc(cc1C=O)CO[C@H]1[C@H](O[C@@H]2OC(O[C@H]12)(C)C)[C@@H]1OC(OC1)(C)C)C(C)(C)C
• Title of publication: 3-<i>tert</i>-Butyl-5-{[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-tetrahydrofuro[2,3-<i>d</i>][1,3]dioxol-6-yloxy]methyl}-2-hydroxybenzaldehyde
• Authors of publication: Zhao, Shan-Shan; Zhao, Ji-Quan; Zhao, Dong-Min
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: o2537 - o2538
• a: 10.288 ± 0.004 Å
• b: 9.992 ± 0.003 Å
• c: 11.983 ± 0.004 Å
• α: 90°
• β: 101.552 ± 0.006°
• γ: 90°
• Cell volume: 1206.9 ± 0.7 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0754
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.1262
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes