Information card for entry 4024661

Structure parameters

• Formula: C17 H34 O4
• Calculated formula: C17 H34 O4
• SMILES: O=C(O)CCC[C@](O)(CO)CCCCCCCCCCC
• Title of publication: Structural and Synthetic Investigations of Tanikolide Dimer, a SIRT2 Selective Inhibitor, and Tanikolideseco-Acid from the Madagascar Marine Cyanobacterium Lyngbya majuscula
• Authors of publication: Marcelino Gutiérrez; Eric H. Andrianasolo; Won Kyo Shin; Douglas E. Goeger; Alexandre Yokochi; Jörg Schemies; Manfred Jung; Dennis France; Susan Cornell-Kennon; Eun Lee; William H. Gerwick
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 5267 - 5275
• a: 5.524 ± 0.004 Å
• b: 8.048 ± 0.005 Å
• c: 20.295 ± 0.012 Å
• α: 90°
• β: 97.18 ± 0.014°
• γ: 90°
• Cell volume: 895.2 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0975
• Residual factor for significantly intense reflections: 0.0882
• Weighted residual factors for significantly intense reflections: 0.2253
• Weighted residual factors for all reflections included in the refinement: 0.2358
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No