Information card for entry 1556182

Structure parameters

• Formula: C28 H22 O4
• Calculated formula: C28 H22 O4
• Title of publication: Phosphine-catalyzed [4 + 2] annulation of γ-substituent allenoates: facile access to functionalized spirocyclic skeletons.
• Authors of publication: Li, Erqing; Huang, You; Liang, Ling; Xie, Peizhong
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 12
• Pages of publication: 3138 - 3141
• a: 14.431 ± 0.004 Å
• b: 8.092 ± 0.002 Å
• c: 36.817 ± 0.01 Å
• α: 90°
• β: 91.972 ± 0.004°
• γ: 90°
• Cell volume: 4297 ± 2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0859
• Residual factor for significantly intense reflections: 0.0764
• Weighted residual factors for significantly intense reflections: 0.1769
• Weighted residual factors for all reflections included in the refinement: 0.1838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No