Information card for entry 1557731

Structure parameters

• Formula: C17 H26 N O5.5
• Calculated formula: C17 H26 N O5.5
• SMILES: C1(=O)C2=C(CC[C@@H]3[C@@]2(CCCC3(C)C)C)C(=O)N1CC(=O)O.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: 14.3803 ± 0.0005 Å
• b: 5.9304 ± 0.0002 Å
• c: 20.8174 ± 0.0014 Å
• α: 90°
• β: 102.702 ± 0.005°
• γ: 90°
• Cell volume: 1731.88 ± 0.15 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0779
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.1301
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No