Information card for entry 1555338

Structure parameters

• Formula: C17 H20 O3
• Calculated formula: C17 H20 O3
• SMILES: O1c2c(c(O)cc(c2)C)[C@H]2[C@@H]3[C@](C2)(C(=O)CC[C@]13C)C.O1c2c(c(O)cc(c2)C)[C@@H]2[C@H]3[C@@](C2)(C(=O)CC[C@@]13C)C
• Title of publication: Two Enantiomeric Pairs of Meroterpenoids from Rhododendron capitatum.
• Authors of publication: Liao, Hai-Bing; Lei, Chun; Gao, Li-Xin; Li, Jing-Ya; Li, Jia; Hou, Ai-Jun
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 20
• Pages of publication: 5040 - 5043
• a: 8.0539 ± 0.0001 Å
• b: 9.0826 ± 0.0001 Å
• c: 9.9175 ± 0.0001 Å
• α: 102.862 ± 0.001°
• β: 97.071 ± 0.001°
• γ: 96.384 ± 0.001°
• Cell volume: 694.648 ± 0.014 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0441
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1205
• Weighted residual factors for all reflections included in the refinement: 0.1234
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No