Information card for entry 1555339

Structure parameters

• Formula: C22 H28 O3
• Calculated formula: C22 H28 O3
• SMILES: O1c2c([C@H]3[C@H]4[C@@]1(CC[C@H]4[C@]3(CC(=O)C=C(C)C)C)C)c(O)cc(c2)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: 11.3754 ± 0.0001 Å
• b: 11.9359 ± 0.0001 Å
• c: 14.185 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1925.98 ± 0.03 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 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: 0.0363
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.0959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No