Information card for entry 4028437

Structure parameters

• Formula: C15 H26 O3
• Calculated formula: C15 H26 O3
• SMILES: [C@H]1(CCC[C@@H]2C[C@H](CC(=C)[C@]12C)[C@@](C)(O)CO)O
• Title of publication: Formal Homoiodo Allylsilane Annulations: Dual Total Syntheses of (\±)-Hirsutene and (\±)-Capnellene
• Authors of publication: Shou-Jie Shen; Wei-Dong Z. Li
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 7112 - 7120
• a: 19.18 ± 0.05 Å
• b: 9.99 ± 0.03 Å
• c: 7.58 ± 0.02 Å
• α: 90°
• β: 94.11 ± 0.03°
• γ: 90°
• Cell volume: 1449 ± 7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1573
• Residual factor for significantly intense reflections: 0.1117
• Weighted residual factors for significantly intense reflections: 0.3156
• Weighted residual factors for all reflections included in the refinement: 0.3815
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No