Information card for entry 4121488

Structure parameters

• Formula: C20 H20 O6
• Calculated formula: C18.229 H18.068 O5.517
• Title of publication: Total synthesis and stereochemical assignment of (±)-sorbiterrin a.
• Authors of publication: Qi, Chao; Qin, Tian; Suzuki, Daisuke; Porco, Jr, John A
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 9
• Pages of publication: 3374 - 3377
• a: 10.0191 ± 0.0003 Å
• b: 10.3912 ± 0.0003 Å
• c: 15.5553 ± 0.0005 Å
• α: 90°
• β: 98.703 ± 0.001°
• γ: 90°
• Cell volume: 1600.82 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1139
• Residual factor for significantly intense reflections: 0.1131
• Weighted residual factors for significantly intense reflections: 0.2492
• Weighted residual factors for all reflections included in the refinement: 0.2496
• Goodness-of-fit parameter for all reflections included in the refinement: 3.1
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No