Information card for entry 4032334

Structure parameters

• Formula: C23 H34 O4
• Calculated formula: C23 H34 O4
• SMILES: O1[C@@]2([C@@H]3[C@H](c4c(O)cc(cc14)C)[C@]([C@@H]3CC2)(CC[C@@H](O)C(=C)C)C)C.CO
• 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: 6.2961 ± 0.0001 Å
• b: 8.1075 ± 0.0001 Å
• c: 10.7109 ± 0.0002 Å
• α: 82.602 ± 0.001°
• β: 83.304 ± 0.001°
• γ: 81.408 ± 0.001°
• Cell volume: 533.459 ± 0.015 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0513
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1304
• Weighted residual factors for all reflections included in the refinement: 0.1435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No