Information card for entry 7159891

Structure parameters

• Formula: C16 H26 O3
• Calculated formula: C16 H26 O3
• Title of publication: Asymmetric total synthesis of humulane sesquiterpenoids alashanoids B, C, E, and F and 2,9-humuladien-6-ol-8-one.
• Authors of publication: Barik, Rasmita; Nanda, Samik
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 22
• Pages of publication: 4478 - 4487
• a: 9.7763 ± 0.0012 Å
• b: 14.2275 ± 0.0014 Å
• c: 12.0706 ± 0.0016 Å
• α: 90°
• β: 107.436 ± 0.014°
• γ: 90°
• Cell volume: 1601.8 ± 0.4 ų
• Cell temperature: 297.6 ± 0.6 K
• Ambient diffraction temperature: 297.6 ± 0.6 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: 0.4427
• Residual factor for significantly intense reflections: 0.164
• Weighted residual factors for significantly intense reflections: 0.3375
• Weighted residual factors for all reflections included in the refinement: 0.4664
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No