Information card for entry 1505388

Structure parameters

• Formula: C19 H26 Br2 O
• Calculated formula: C19 H26 Br2 O
• SMILES: Br[C@H]1[C@@H](Br)C[C@H](O[C@H]1C1CCCCC1)CCc1ccccc1.Br[C@@H]1[C@H](Br)C[C@@H](O[C@@H]1C1CCCCC1)CCc1ccccc1
• Title of publication: Highly stereoselective prins cyclization of (Z)- and (E)-gamma-brominated homoallylic alcohols to 2,4,5,6-tetrasubstituted tetrahydropyrans.
• Authors of publication: Liu, Feng; Loh, Teck-Peng
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 11
• Pages of publication: 2063 - 2066
• a: 10.4511 ± 0.0004 Å
• b: 18.9558 ± 0.0007 Å
• c: 9.7638 ± 0.0004 Å
• α: 90°
• β: 105.932 ± 0.002°
• γ: 90°
• Cell volume: 1860 ± 0.13 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• 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: 0.0426
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0553
• Weighted residual factors for all reflections included in the refinement: 0.0599
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No