Information card for entry 7157831

Structure parameters

• Chemical name: Hygrophorone A12
• Formula: C18 H32 O4
• Calculated formula: C18 H32 O4
• Title of publication: Stereoselective total syntheses of (-)-hygrophorone A¹², 4-<i>O</i>-acetyl-hygrophorone A¹² and (+)-hygrophorone B¹².
• Authors of publication: Das, Sayani; Dalal, Anu; Gholap, Shivajirao L.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 5
• Pages of publication: 1100 - 1108
• a: 7.9985 ± 0.0006 Å
• b: 10.3197 ± 0.0006 Å
• c: 22.414 ± 0.0014 Å
• α: 90°
• β: 93.464 ± 0.002°
• γ: 90°
• Cell volume: 1846.7 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 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: 0.0862
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No