Information card for entry 1506952

Structure parameters

• Formula: C11 H17 Br O4
• Calculated formula: C11 H17 Br O4
• SMILES: Br[C@H]1C(C)(C)O[C@H]2COC(=O)O[C@@]2(CC1)C
• Title of publication: Alkene substituents for selective activation of endo-regioselective polyepoxide oxacyclizations.
• Authors of publication: Bravo, Fernando; McDonald, Frank E.; Neiwert, Wade A.; Hardcastle, Kenneth I.
• Journal of publication: Organic letters
• Year of publication: 2004
• Journal volume: 6
• Journal issue: 24
• Pages of publication: 4487 - 4489
• a: 7.208 Å
• b: 7.208 Å
• c: 42.0575 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1892.36 ± 0.02 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 154
• Hermann-Mauguin space group symbol: P 32 2 1
• Hall space group symbol: P 32 2"
• Residual factor for all reflections: 0.027
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.0979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No