Information card for entry 7129306

Structure parameters

• Formula: C20 H24 O5
• Calculated formula: C20 H24 O5
• SMILES: O(c1cc(OC)cc(OC)c1[C@H]1c2ccccc2O[C@H](OCC)C1)C
• Title of publication: Acid-catalysed iterative generation of o-quinone methides for the synthesis of dioxabicyclo[3.3.1]nonanes: total synthesis of myristicyclins A–B
• Authors of publication: Gharpure, Santosh J.; Jegadeesan, S.; Vishwakarma, Dharmendra S.
• Journal of publication: Chemical Communications
• Year of publication: 2021
• a: 7.4157 ± 0.0003 Å
• b: 9.0593 ± 0.0005 Å
• c: 26.5028 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1780.49 ± 0.15 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0478
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No