Information card for entry 7151550

Structure parameters

• Formula: C19 H36 Ho0 O6
• Calculated formula: C19 H36 O6
• SMILES: O1[C@@H](OC)[C@H](O)[C@@H](O)[C@@]1(CCCCCCCCCCCC)C(=O)OC
• Title of publication: Enantiospecific synthesis of the phospholipase A2 inhibitors (?)-cinatrin C1 and (+)-cinatrin C3
• Authors of publication: Cuzzupe, Anthony N.; Florio, Romina Di; White, Jonathan M.; Rizzacasa, Mark A.
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2003
• Journal volume: 1
• Journal issue: 20
• Pages of publication: 3572
• a: 5.7655 ± 0.0003 Å
• b: 9.7432 ± 0.0004 Å
• c: 19.338 ± 0.001 Å
• α: 83.041 ± 0.005°
• β: 85.348 ± 0.006°
• γ: 85.954 ± 0.004°
• Cell volume: 1072.72 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0633
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.1033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No