Information card for entry 4028873

Structure parameters

• Formula: C24 H18 O6
• Calculated formula: C24 H18 O6
• SMILES: c12cccc3cccc(c13)[C@]13C=C[C@H](C4([C@@H]5C=C[C@]2(C14C(=O)OC)O5)C(=O)OC)O3
• 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: 8.8179 ± 0.0003 Å
• b: 10.3559 ± 0.0004 Å
• c: 11.765 ± 0.0004 Å
• α: 68.551 ± 0.002°
• β: 84.289 ± 0.002°
• γ: 65.136 ± 0.002°
• Cell volume: 905.38 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0412
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.1021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No