Information card for entry 7159088

Structure parameters

• Formula: C26 H32 F3 N O4
• Calculated formula: C26 H32 F3 N O4
• Title of publication: Control of the diastereoselectivity at C(20) in the formation of C(21)-fluorinated thevinols.
• Authors of publication: Sandulenko, Irina V.; Kovaleva, Ekaterina S.; Zelentsova, Maria V.; Ambartsumyan, Asmik A.; Gorlov, Sergey N.; Danshina, Anastasia A.; Aysin, Rinat R.; Moiseev, Sergey K.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 7
• Pages of publication: 1440 - 1449
• a: 7.0711 ± 0.0013 Å
• b: 10.67 ± 0.002 Å
• c: 15.423 ± 0.003 Å
• α: 90°
• β: 100.581 ± 0.004°
• γ: 90°
• Cell volume: 1143.9 ± 0.4 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0518
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No