Information card for entry 4126445

Structure parameters

• Formula: C20 H32 O5
• Calculated formula: C20 H32 O5
• SMILES: O1C(O[C@@H]2[C@@H](OCOC)[C@]3([C@@H](O)C(=C[C@@H]([C@H]3[C@H]([C@H]12)C)C=C)C)C)(C)C
• Title of publication: Total Synthesis of (-)-Nahuoic Acid Ci (Bii).
• Authors of publication: Liu, Qi; Deng, Yifan; Smith, 3rd, Amos B
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 14.316 ± 0.002 Å
• b: 17.322 ± 0.003 Å
• c: 8.0019 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1984.3 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0267
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0644
• Weighted residual factors for all reflections included in the refinement: 0.0651
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No