Information card for entry 1518775

Structure parameters

• Formula: C20 H28 O4
• Calculated formula: C20 H28 O4
• SMILES: O[C@@H]1C[C@@]23[C@H](C(C1)(C)C)C[C@H](OC3)c1c2c(O)c(O)c(c1)C(C)C
• 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: 10.734 ± 0.007 Å
• b: 12.344 ± 0.004 Å
• c: 13.282 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1759.9 ± 1.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0325
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.0862
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No