Information card for entry 4108792

Structure parameters

• Formula: C15 H21 Br O3
• Calculated formula: C15 H21 Br O3
• SMILES: Br[C@H]1C[C@@H](O)[C@@H]2O[C@@H]([C@H](O[C@@H]1CC)C2)CC=CC#C
• Title of publication: Biomimetic Asymmetric Total Synthesis of (-)-Laurefucin via an Organoselenium-Mediated Intramolecular Hydroxyetherification
• Authors of publication: Byungsook Kim; Miseon Lee; Mi Jung Kim; Hyunjoo Lee; Sanghee Kim; Deukjoon Kim; Minseob Koh; Seung Bum Park; Kye Jung Shin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 16807 - 16811
• a: 8.3834 ± 0.0009 Å
• b: 13.102 ± 0.002 Å
• c: 14.396 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1581.2 ± 0.4 ų
• Cell temperature: 293.1 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for all reflections included in the refinement: 0.162
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No