Information card for entry 4106935

Structure parameters

• Formula: C12 H23 Br O3
• Calculated formula: C12 H23 Br O3
• SMILES: Br[C@@H](CC)[C@H]1O[C@@H](C)C[C@H](O)[C@H](O)CCC1.Br[C@H](CC)[C@@H]1O[C@H](C)C[C@@H](O)[C@@H](O)CCC1
• Title of publication: A General Strategy for the Stereocontrolled Preparation of Diverse 8- and 9-Membered Laurencia-Type Bromoethers
• Authors of publication: Scott A. Snyder; Daniel S. Treitler; Alexandria P. Brucks; Wesley Sattler
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 15898 - 15901
• a: 5.2374 ± 0.001 Å
• b: 8.1373 ± 0.0016 Å
• c: 16.775 ± 0.003 Å
• α: 87.12 ± 0.003°
• β: 84.11 ± 0.003°
• γ: 73.262 ± 0.003°
• Cell volume: 680.9 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0997
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.0706
• Weighted residual factors for all reflections included in the refinement: 0.0818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No