Information card for entry 1506951

Structure parameters

• Formula: C12 H18 O5
• Calculated formula: C12 H18 O5
• SMILES: C1(=O)O[C@]2([C@H](CO1)O[C@]([C@H](CC2)O)(C)C=C)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: 8.6269 ± 0.0003 Å
• b: 6.722 ± 0.0002 Å
• c: 10.4529 ± 0.0003 Å
• α: 90°
• β: 92.173 ± 0.002°
• γ: 90°
• Cell volume: 605.73 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0401
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.1341
• Weighted residual factors for all reflections included in the refinement: 0.1563
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No