Information card for entry 4028875

Structure parameters

• Common name: gr1ac367F3
• Formula: C38 H24 O3
• Calculated formula: C38 H24 O3
• SMILES: O1[C@]23C=C[C@H]1[C@H]1[C@@H]2[C@]2(O[C@@]41[C@H]1[C@@H]2[C@H]2O[C@@]1(c1c2cccc1)c1cccc2cccc4c12)c1cccc2cccc3c12.O1[C@@]23C=C[C@@H]1[C@@H]1[C@H]2[C@@]2(O[C@]41[C@@H]1[C@H]2[C@@H]2O[C@]1(c1c2cccc1)c1cccc2cccc4c12)c1cccc2cccc3c12
• 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: 9.3481 ± 0.0004 Å
• b: 15.1543 ± 0.0008 Å
• c: 17.5589 ± 0.0008 Å
• α: 102.658 ± 0.003°
• β: 93.541 ± 0.003°
• γ: 92.639 ± 0.003°
• Cell volume: 2417.8 ± 0.2 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: 0.1675
• Residual factor for significantly intense reflections: 0.0687
• Weighted residual factors for significantly intense reflections: 0.141
• Weighted residual factors for all reflections included in the refinement: 0.1919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No