Information card for entry 1553372

Structure parameters

• Formula: C17 H22 O2
• Calculated formula: C17 H22 O2
• SMILES: O1[C@@]2([C@H](Cc3c(cc(O)cc13)C)[C@@H](CC2)C(=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: 29.658 ± 0.0019 Å
• b: 6.8498 ± 0.0005 Å
• c: 7.4333 ± 0.0005 Å
• α: 90°
• β: 104.45 ± 0.002°
• γ: 90°
• Cell volume: 1462.31 ± 0.17 ų
• Cell temperature: 302 ± 2 K
• Ambient diffraction temperature: 301.94 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: 0.0397
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.1056
• Weighted residual factors for all reflections included in the refinement: 0.1074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No