Information card for entry 4032335

Structure parameters

• Formula: C17 H22 O3
• Calculated formula: C17 H22 O3
• SMILES: O1[C@@]2([C@@H]3[C@@H](OC([C@@H]3CC2)(C)C)c2c(O)cc(cc12)C)C
• Title of publication: Five Pairs of Meroterpenoid Enantiomers from Rhododendron capitatum.
• Authors of publication: Liao, Hai-Bing; Huang, Guang-Hui; Yu, Mei-Hua; Lei, Chun; Hou, Ai-Jun
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 3
• Pages of publication: 1632 - 1637
• a: 8.3667 ± 0.0002 Å
• b: 5.5161 ± 0.0002 Å
• c: 15.6625 ± 0.0004 Å
• α: 90°
• β: 102.589 ± 0.001°
• γ: 90°
• Cell volume: 705.47 ± 0.04 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0366
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No