Information card for entry 7135264

Structure parameters

• Chemical name: MK-206
• Formula: C17 H16 Br N O S
• Calculated formula: C17 H16 Br N O S
• 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: 8.0318 ± 0.0001 Å
• b: 19.4472 ± 0.0004 Å
• c: 10.3438 ± 0.0002 Å
• α: 90°
• β: 101.538 ± 0.002°
• γ: 90°
• Cell volume: 1583.01 ± 0.05 ų
• Cell temperature: 298.26 ± 0.13 K
• Ambient diffraction temperature: 298.26 ± 0.13 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: 0.0557
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1392
• Weighted residual factors for all reflections included in the refinement: 0.146
• Goodness-of-fit parameter for all reflections included in the refinement: 0.7375
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No