Information card for entry 4038504

Structure parameters

• Formula: C17 H18 N2 S2
• Calculated formula: C17 H18 N2 S2
• Title of publication: Cross-Dehydrogenative Coupling of Azoarenes with Dialkyl Disulfides.
• Authors of publication: Qi, Peng; Sun, Fang; Chen, Ning; Du, Hongguang
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• Journal volume: 85
• Journal issue: 13
• Pages of publication: 8588 - 8596
• a: 8.2539 ± 0.0005 Å
• b: 9.845 ± 0.0006 Å
• c: 10.1665 ± 0.0006 Å
• α: 85.666 ± 0.005°
• β: 76.94 ± 0.005°
• γ: 82.44 ± 0.005°
• Cell volume: 796.86 ± 0.09 ų
• Cell temperature: 108.45 ± 0.1 K
• Ambient diffraction temperature: 108.45 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0379
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections included in the refinement: 0.0824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No