Information card for entry 7231897

Structure parameters

• Formula: C22 H30 O3
• Calculated formula: C22 H30 O3
• Title of publication: Control of the stereochemistry of C14 hydroxyl during the total synthesis of withanolide E and physachenolide C
• Authors of publication: Anees, M.; Nayak, S.; Afarinkia, K.; Vinader, V.
• Journal of publication: RSC Advances
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 69
• Pages of publication: 39691
• a: 12.3071 ± 0.0007 Å
• b: 19.3724 ± 0.0009 Å
• c: 8.0124 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1910.3 ± 0.17 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 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: 0.0387
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.0915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No