Information card for entry 1553373

Structure parameters

• Formula: C17 H22 O2
• Calculated formula: C17 H22 O2
• SMILES: O1[C@@]2([C@@H]3[C@H](c4c(cc(O)cc14)C)C([C@@H]3CC2)(C)C)C
• Title of publication: Enantiomeric Pairs of Meroterpenoids with Diverse Heterocyclic Systems from Rhododendron nyingchiense.
• Authors of publication: Huang, Guang-Hui; Hu, Zhu; Lei, Chun; Wang, Pei-Pei; Yang, Jing; Li, Jing-Ya; Li, Jia; Hou, Ai-Jun
• Journal of publication: Journal of natural products
• Year of publication: 2018
• Journal volume: 81
• Journal issue: 8
• Pages of publication: 1810 - 1818
• a: 6.0879 ± 0.0004 Å
• b: 8.0119 ± 0.0006 Å
• c: 29.617 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1444.59 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 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: 0.0506
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.1208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No