Information card for entry 1558148

Structure parameters

• Formula: C16 H26 O3
• Calculated formula: C16 H26 O3
• SMILES: O1[C@]2(CCC[C@@]3([C@@H]2[C@H](OC1=O)[C@@H](CC3)C(C)C)C)C
• Title of publication: Eudesmacarbonate, a Eudesmane-Type Sesquiterpene from a Marine Filamentous Cyanobacterial Mat (Oscillatoriales) in the Florida Keys.
• Authors of publication: Lydon, Christina A.; Mathivathanan, Logesh; Sanchez, Juanita; Dos Santos, Larissa A. H.; Sauvage, Thomas; Gunasekera, Sarath P.; Paul, Valerie J.; Berry, John P.
• Journal of publication: Journal of natural products
• Year of publication: 2020
• a: 8.3643 ± 0.0004 Å
• b: 9.9485 ± 0.0004 Å
• c: 17.7102 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1473.71 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 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: 0.0634
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.0854
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No