Information card for entry 4036618

Structure parameters

• Formula: C15 H26 O2
• Calculated formula: C15 H26 O2
• SMILES: O[C@@H]1[C@@H]2[C@H]([C@]3([C@@H]([C@H]1C)[C@H](O)C3)C)CC(C2)(C)C
• Title of publication: Chemoenzymatic Total Syntheses of the Enantiomers of the Protoilludanes 8-Deoxydihydrotsugicoline and Radudiol.
• Authors of publication: Chang, Ee Ling; Bolte, Benoit; Lan, Ping; Willis, Anthony C.; Banwell, Martin G.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 5
• Pages of publication: 2078 - 2086
• a: 21.353 ± 0.003 Å
• b: 21.353 ± 0.003 Å
• c: 5.8048 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2292.1 ± 0.6 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 170
• Hermann-Mauguin space group symbol: P 65
• Hall space group symbol: P 65
• Residual factor for all reflections: 0.1028
• Residual factor for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections: 0.1901
• Weighted residual factors for significantly intense reflections: 0.1771
• Weighted residual factors for all reflections included in the refinement: 0.1901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0243
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No