Information card for entry 7160000

Structure parameters

• Chemical name: SGS-4
• Formula: C12 H20 O
• Calculated formula: C12 H20 O
• Title of publication: Enantioselective synthesis of all stereoisomers of geosmin and of biosynthetically related natural products.
• Authors of publication: Yin, Zhiyong; Maczka, Michael; Schnakenburg, Gregor; Schulz, Stefan; Dickschat, Jeroen S.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 28
• Pages of publication: 5748 - 5758
• a: 36.7093 ± 0.001 Å
• b: 26.4549 ± 0.0009 Å
• c: 6.8153 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6618.6 ± 0.3 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: 0.0972
• Residual factor for significantly intense reflections: 0.0766
• Weighted residual factors for significantly intense reflections: 0.1929
• Weighted residual factors for all reflections included in the refinement: 0.2194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No