Information card for entry 1557730

Structure parameters

• Formula: C17 H25 N O3
• Calculated formula: C17 H25 N O3
• SMILES: C1(=O)C2=C([C@@]3([C@@H](CC2)C(CCC3)(C)C)C)CN1CC(=O)O
• Title of publication: Dysidealactams and Dysidealactones: Sesquiterpene Glycinyl-Lactams, Imides, and Lactones from a Dysidea sp. Marine Sponge Collected in Southern Australia
• Authors of publication: Khushi, Shamsunnahar; Salim, Angela A.; Elbanna, Ahmed H.; Nahar, Laizuman; Bernhardt, Paul V.; Capon, Robert J.
• Journal of publication: Journal of Natural Products
• Year of publication: 2020
• a: 14.3592 ± 0.0005 Å
• b: 7.0144 ± 0.0003 Å
• c: 15.9545 ± 0.0007 Å
• α: 90°
• β: 94.836 ± 0.003°
• γ: 90°
• Cell volume: 1601.24 ± 0.11 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.064
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1389
• Weighted residual factors for all reflections included in the refinement: 0.1473
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No