Information card for entry 7159090

Structure parameters

• Formula: C23 H23 F3 N2 O4
• Calculated formula: C23 H23 F3 N2 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: 10.0899 ± 0.0007 Å
• b: 7.6365 ± 0.0005 Å
• c: 26.1261 ± 0.0017 Å
• α: 90°
• β: 98.814 ± 0.003°
• γ: 90°
• Cell volume: 1989.3 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.1003
• Residual factor for significantly intense reflections: 0.0997
• Weighted residual factors for significantly intense reflections: 0.2873
• Weighted residual factors for all reflections included in the refinement: 0.29
• Goodness-of-fit parameter for all reflections included in the refinement: 1.457
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No