Information card for entry 1507325

Structure parameters

• Formula: C10 H16 O3
• Calculated formula: C10 H16 O3
• Title of publication: Stereochemical diversity through cyclodimerization: synthesis of polyketide-like macrodiolides.
• Authors of publication: Su, Qibin; Beeler, Aaron B.; Lobkovsky, Emil; Porco, Jr, John A; Panek, James S.
• Journal of publication: Organic letters
• Year of publication: 2003
• Journal volume: 5
• Journal issue: 12
• Pages of publication: 2149 - 2152
• a: 18.327 ± 0.006 Å
• b: 5.478 ± 0.0018 Å
• c: 13.272 ± 0.004 Å
• α: 90°
• β: 127.937 ± 0.005°
• γ: 90°
• Cell volume: 1050.9 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1102
• 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