Information card for entry 1504216

Structure parameters

• Common name: PK-IV-261
• Formula: C21 H24 O6
• Calculated formula: C21 H24 O6
• SMILES: C1(=O)[C@@]([C@H]2C[C@@H]3C(=O)OC[C@@]4(C(=O)C=CC(C4)(C)C)[C@@]13C=C2)(C)OC(=O)C.C1(=O)[C@]([C@@H]2C[C@H]3C(=O)OC[C@]4(C(=O)C=CC(C4)(C)C)[C@]13C=C2)(C)OC(=O)C
• Title of publication: A synthesis of the carbon skeleton of maoecrystal V.
• Authors of publication: Krawczuk, Paul J.; Schöne, Niklas; Baran, Phil S.
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 21
• Pages of publication: 4774 - 4776
• a: 7.1446 ± 0.0002 Å
• b: 10.9191 ± 0.0003 Å
• c: 23.7565 ± 0.0007 Å
• α: 90°
• β: 91.941 ± 0.002°
• γ: 90°
• Cell volume: 1852.24 ± 0.09 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: 0.0414
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0862
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No