Information card for entry 7249948

Structure parameters

• Chemical name: (4Z,8S,9R,12E,14E)-9-Hydroxy-1-isopropyl-8,12-dimethyl_oxabicyclo[9.3.2]-hexadeca-4,12,14-trien-18-one
• Formula: C20 H30 O3
• Calculated formula: C20 H30 O3
• Title of publication: Insights into the structural diversity of cembranoids from Sarcophyton glaucum and their bioactivity
• Authors of publication: Lai, Kuei-Hung; Chung, Hsiao-Ling; Chen, You-Ying; Zheng, Li-Guo; Su, Jui-Hsin; El-Shazly, Mohamed
• Journal of publication: RSC Advances
• Year of publication: 2025
• Journal volume: 15
• Journal issue: 6
• Pages of publication: 4702 - 4707
• a: 7.6524 ± 0.0002 Å
• b: 13.8446 ± 0.0003 Å
• c: 17.0676 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1808.22 ± 0.07 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0315
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No