Information card for entry 7158634

Structure parameters

• Formula: C24 H22 N2
• Calculated formula: C24 H22 N2
• Title of publication: Microwave-accelerated and benzoyl peroxide (BPO) initiated cyclization of 1,5-enynes having cyano groups with cyclic alkanes under metal-free conditions
• Authors of publication: Ruan, Shuchen; Zhou, Chao; Li, Laiqiang; Wang, Lei; Liu, Jie; Li, Pinhua
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2022
• a: 12.796 ± 0.002 Å
• b: 13.651 ± 0.003 Å
• c: 12.334 ± 0.002 Å
• α: 90°
• β: 117.073 ± 0.006°
• γ: 90°
• Cell volume: 1918.4 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.0516
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No