Information card for entry 1507320

Structure parameters

• Formula: C18 H28 O8
• Calculated formula: C18 H28 O8
• 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: 11.4095 ± 0.0008 Å
• b: 5.3468 ± 0.0004 Å
• c: 15.4399 ± 0.0011 Å
• α: 90°
• β: 98.187 ± 0.001°
• γ: 90°
• Cell volume: 932.3 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 3
• Hermann-Mauguin space group symbol: P 1 2 1
• Hall space group symbol: P 2y
• Residual factor for all reflections: 0.0575
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1112
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No