Information card for entry 4129030

Structure parameters

• Formula: C23 H30 O4
• Calculated formula: C23 H30 O4
• SMILES: O=C1[C@]23C[C@@H](OC(=O)C)CC[C@@]2([C@@H]2C(=C1)[C@H]1[C@](CC2)([C@H](CC1)C(=O)C)C)C3
• Title of publication: Facile Access to Bridged Ring Systems via Point-to-Planar Chirality Transfer: Unified Synthesis of Ten Cyclocitrinols.
• Authors of publication: Wang, Yu; Ju, Wei; Tian, Hailong; Sun, Suyun; Li, Xinghui; Tian, Weisheng; Gui, Jinghan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 12
• Pages of publication: 5021 - 5033
• a: 7.8235 ± 0.0001 Å
• b: 8.2819 ± 0.0001 Å
• c: 16.211 ± 0.0002 Å
• α: 90°
• β: 96.355 ± 0.001°
• γ: 90°
• Cell volume: 1043.91 ± 0.02 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0421
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1141
• Weighted residual factors for all reflections included in the refinement: 0.1153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No