Information card for entry 4022496

Structure parameters

• Formula: C20 H34 O2
• Calculated formula: C20 H34 O2
• SMILES: OC(CC[C@]1([C@@H](CCC2=C1[C@H]1CC[C@@]2(C[C@H]1O)C)C)C)(C)C
• Title of publication: Synthesis of Bioactive Sesterterpenolides from ent-Halimic Acid. 15-Epi-ent-cladocoran A and B
• Authors of publication: I. S. Marcos; A. B. Pedrero; M. J. Sexmero; D. Diez; P. Basabe; N. García; R. F. Moro; H. B. Broughton; F. Mollinedo; J. G. Urones
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2003
• Journal volume: 68
• Pages of publication: 7496 - 7504
• a: 6.9511 ± 0.0003 Å
• b: 11.9573 ± 0.0007 Å
• c: 22.33 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1856 ± 0.2 ų
• Cell temperature: 268 ± 2 K
• Ambient diffraction temperature: 268 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0774
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for all reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.0479
• Goodness-of-fit parameter for all reflections: 0.704
• Goodness-of-fit parameter for significantly intense reflections: 0.823
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No