Information card for entry 1555597

Structure parameters

• Formula: C30 H38 O5
• Calculated formula: C30 H38 O5
• Title of publication: Bifunctional Organo/Metal Cooperatively Catalyzed [3 + 2] Annulation of para-Quinone Methides with Vinylcyclopropanes: Approach to Spiro[4.5]deca-6,9-diene-8-ones.
• Authors of publication: Yuan, Zhenbo; Wei, Weiwei; Lin, Aijun; Yao, Hequan
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 14
• Pages of publication: 3370 - 3373
• a: 23.324 ± 0.008 Å
• b: 9.264 ± 0.003 Å
• c: 26.981 ± 0.009 Å
• α: 90°
• β: 105.014 ± 0.005°
• γ: 90°
• Cell volume: 5631 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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 all reflections: 0.1266
• Residual factor for significantly intense reflections: 0.0728
• Weighted residual factors for significantly intense reflections: 0.2076
• Weighted residual factors for all reflections included in the refinement: 0.2425
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No