Information card for entry 4028874

Structure parameters

• Formula: C32 H20 O2
• Calculated formula: C32 H20 O2
• SMILES: c12c(c3ccccc3c3ccccc13)[C@]13[C@@H]4[C@@]5(c6c7c1cccc7ccc6)C=C[C@@H]([C@@H]4[C@@H]2O3)O5.c12c(c3ccccc3c3ccccc13)[C@@]13[C@H]4[C@]5(c6c7c1cccc7ccc6)C=C[C@H]([C@H]4[C@H]2O3)O5
• Title of publication: Stereoselective Tandem Cascade Furan Cycloadditions
• Authors of publication: Alejandro Criado; Manuel Vilas-Varela; Agustín Cobas; Dolores Pérez; Diego Peña; Enrique Guitián
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 12637 - 12649
• a: 12.4297 ± 0.0002 Å
• b: 10.2084 ± 0.0002 Å
• c: 16.782 ± 0.0003 Å
• α: 90°
• β: 108.126 ± 0.001°
• γ: 90°
• Cell volume: 2023.75 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0948
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No