Information card for entry 4038941

Structure parameters

• Formula: C13 H15 F4 N S
• Calculated formula: C13 H15 F4 N S
• Title of publication: Synthesis of tetrafluorinated piperidines from nitrones via a visible-light-promoted annelation reaction
• Authors of publication: Supranovich, Vyacheslav I.; Dmitriev, Igor A.; Dilman, Alexander D.
• Journal of publication: Beilstein Journal of Organic Chemistry
• Year of publication: 2020
• Journal volume: 16
• Pages of publication: 3104 - 3108
• a: 13.2686 ± 0.0003 Å
• b: 7.4126 ± 0.0002 Å
• c: 13.3406 ± 0.0003 Å
• α: 90°
• β: 93.271 ± 0.001°
• γ: 90°
• Cell volume: 1309.97 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0509
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No