Information card for entry 1512311

Structure parameters

• Formula: C24 H30 O4
• Calculated formula: C24 H30 O4
• SMILES: CO[C@]1(CC[C@]2(OC)CC[C@@H](O2)c2ccccc2)CC[C@H](O1)c1ccccc1
• Title of publication: Convergent Access to Bis-spiroacetals through a Sila-Stetter‒Ketalization Cascade
• Authors of publication: Labarre-Lainé, Jessica; Beniazza, Redouane; Desvergnes, Valérie; Landais, Yannick
• Journal of publication: Organic Letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 18
• Pages of publication: 4706
• a: 10.65 ± 0.002 Å
• b: 11.278 ± 0.002 Å
• c: 8.8291 ± 0.0018 Å
• α: 90°
• β: 104.88 ± 0.03°
• γ: 90°
• Cell volume: 1024.9 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1099
• Residual factor for significantly intense reflections: 0.0892
• Weighted residual factors for significantly intense reflections: 0.2656
• Weighted residual factors for all reflections included in the refinement: 0.3184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.378
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No