Information card for entry 1559882

Structure parameters

• Common name: 1
• Chemical name: 17F4
• Formula: C20 H26 O3
• Calculated formula: C20 H26 O3
• SMILES: C1(=O)C[C@@H]2[C@@](C3=C1C[C@H](C1=CCOC1=O)C3)(CCCC2(C)C)C
• Title of publication: Boesenmaxane Diterpenoids from Boesenbergia maxwellii
• Authors of publication: Moe, The S.; Chaturonrutsamee, Suppisak; Bunteang, Samreang; Kuhakarn, Chutima; Prabpai, Samran; Surawatanawong, Panida; Chairoungdua, Arthit; Suksen, Kanoknetr; Akkarawongsapat, Radeekorn; Limthongkul, Jitra; Napaswad, Chanita; Nuntasaen, Narong; Reutrakul, Vichai
• Journal of publication: Journal of Natural Products
• Year of publication: 2020
• a: 7.6151 ± 0.0002 Å
• b: 12.9911 ± 0.0004 Å
• c: 17.461 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1727.39 ± 0.09 ų
• Cell temperature: 293.15 K
• Ambient diffraction temperature: 293.15 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: 0.0747
• Residual factor for significantly intense reflections: 0.0726
• Weighted residual factors for significantly intense reflections: 0.1912
• Weighted residual factors for all reflections included in the refinement: 0.1952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No