Information card for entry 7158216

Structure parameters

• Formula: C15 H26 O2
• Calculated formula: C15 H26 O2
• SMILES: O1[C@@]([C@@H]2CC[C@@H](C=C(C2)C)C)(COC1(C)C)C
• Title of publication: Enantioselective construction of substituted pyridine and a seven-membered carbocyclic skeleton: biomimetic synthesis of (-)-rupestine D, (-)-guaipyridine, (-)-epiguaipyridine, and (-)-cananodine and their stereoisomers.
• Authors of publication: Zhang, Cun; Wang, Bianlin; Aibibula, Paruke; Zhao, Jiangyu; Aisa, Haji Akber
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 32
• Pages of publication: 7081 - 7084
• a: 6.2068 ± 0.0002 Å
• b: 9.6747 ± 0.0003 Å
• c: 23.6894 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1422.52 ± 0.07 ų
• Cell temperature: 160 K
• Ambient diffraction temperature: 160 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: 0.0331
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0733
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No