Information card for entry 7135263

Structure parameters

• Formula: C17 H16 Br N O Se
• Calculated formula: C17 H16 Br N O Se
• Title of publication: Ag(I)-Mediated Mono-selective C(sp2)─H Chalcogenation of α-Aminotropones and Their Peptides at Room Temperature
• Authors of publication: Kar, Malobika; Sharma, Nagendra K.
• Journal of publication: Chemical Communications
• Year of publication: 2025
• a: 7.9325 ± 0.0006 Å
• b: 19.3831 ± 0.0015 Å
• c: 10.3168 ± 0.0008 Å
• α: 90°
• β: 100.504 ± 0.008°
• γ: 90°
• Cell volume: 1559.7 ± 0.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0644
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0798
• Weighted residual factors for all reflections included in the refinement: 0.0854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No