Information card for entry 1569000

Structure parameters

• Formula: C18.5 H28 O3.5
• Calculated formula: C18.5 H28 O3.5
• SMILES: OC(C)(C)[C@H]1[C@H](c2ccc(O)cc2)[C@@H](O)[C@@](C=C)(C)CC1.OC
• Title of publication: Enantioselective total syntheses of six natural and two proposed meroterpenoids from <i>Psoralea corylifolia</i>.
• Authors of publication: Chen, Xiao-Wei; Hou, Zi-Chao; Chen, Chi; Zhang, Ling-Hui; Chen, Meng-En; Zhang, Fu-Min
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 21
• Pages of publication: 5699 - 5704
• a: 15.3362 ± 0.0003 Å
• b: 6.9513 ± 0.00012 Å
• c: 16.3195 ± 0.0003 Å
• α: 90°
• β: 101.082 ± 0.0018°
• γ: 90°
• Cell volume: 1707.32 ± 0.06 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0421
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1058
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No