Information card for entry 1518774

Structure parameters

• Formula: C17 H24 O6
• Calculated formula: C17 H24 O6
• SMILES: [C@H]1(C[C@@H]([C@@H]([C@H]2CC3=C(C(=O)O[C@@]3(C[C@]12C)O)C)C)OC(=O)C)O
• Title of publication: Dimeric Abietane Diterpenoids and Sesquiterpenoid Lactones from Teucrium viscidum.
• Authors of publication: Gao, Chun; Han, Li; Zheng, Dan; Jin, Hongwei; Gai, Chunyan; Wang, Jianbin; Zhang, Hao; Zhang, Liangren; Fu, Hongzheng
• Journal of publication: Journal of natural products
• Year of publication: 2015
• Journal volume: 78
• Journal issue: 4
• Pages of publication: 630 - 638
• a: 19.391 ± 0.014 Å
• b: 6.455 ± 0.007 Å
• c: 15.383 ± 0.012 Å
• α: 90°
• β: 115.322 ± 0.013°
• γ: 90°
• Cell volume: 1740 ± 3 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No