Information card for entry 4038851

Structure parameters

• Common name: ORGANIC
• Formula: C24 H18 N2 S
• Calculated formula: C24 H18 N2 S
• Title of publication: Catalytic Direct α-Amination of Arylacetic Acid Synthons with Anilines
• Authors of publication: Kumar, Jogendra; Suresh, Eringathodi; Bhadra, Sukalyan
• Journal of publication: The Journal of Organic Chemistry
• Year of publication: 2020
• a: 10.0472 ± 0.001 Å
• b: 9.0898 ± 0.0008 Å
• c: 20.6002 ± 0.0019 Å
• α: 90°
• β: 98.372 ± 0.003°
• γ: 90°
• Cell volume: 1861.3 ± 0.3 ų
• Cell temperature: 264 ± 2 K
• Ambient diffraction temperature: 264 ± 2 K
• Number of distinct elements: 4
• 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: 0.0769
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1274
• Weighted residual factors for all reflections included in the refinement: 0.15
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No