Information card for entry 7158595

Structure parameters

• Formula: C28 H24 F N O5 S2
• Calculated formula: C28 H24 F N O5 S2
• SMILES: S(=O)(=O)(N(S(=O)(=O)c1ccccc1)[C@@](F)(C(=O)c1ccc(C)cc1)c1ccc(cc1)C)c1ccccc1
• Title of publication: α-Fluoroamine synthesis <i>via</i> P(III)-mediated deoxygenative geminal fluorosulfonimidation of 1,2-diketones.
• Authors of publication: Son, Yeri; Hwang, Sunjoo; Bak, Sujin; Kim, Ha Eun; Choi, Jun-Ho; Chung, Won-Jin
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2022
• Journal volume: 20
• Journal issue: 16
• Pages of publication: 3263 - 3267
• a: 6.7215 ± 0.0002 Å
• b: 18.6021 ± 0.0005 Å
• c: 20.0805 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2510.75 ± 0.12 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No