Information card for entry 7130162

Structure parameters

• Formula: C19 H16 N4
• Calculated formula: C19 H16 N4
• Title of publication: Photoredox/copper cocatalyzed domino cyclization of oxime esters with TMSCN: access to antifungal active tetrasubstituted pyrazines
• Authors of publication: Cao, Shujun; Yuan, Weidong; Li, Yun; Teng, Xinjie; Si, Huaxing; Chen, Rongshun; Zhu, Yingguang
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 6.331 ± 0.0009 Å
• b: 9.741 ± 0.0013 Å
• c: 13.1586 ± 0.0019 Å
• α: 80.485 ± 0.004°
• β: 88.98 ± 0.005°
• γ: 82.009 ± 0.005°
• Cell volume: 792.55 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0886
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1184
• Weighted residual factors for all reflections included in the refinement: 0.1374
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No