Information card for entry 7153990

Structure parameters

• Formula: C17 H13 N
• Calculated formula: C17 H13 N
• Title of publication: Metal-free oxidative olefination of primary amines with benzylic C-H bonds through direct deamination and C-H bond activation.
• Authors of publication: Gong, Liang; Xing, Li-Juan; Xu, Tong; Zhu, Xue-Ping; Zhou, Wen; Kang, Ning; Wang, Bin
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 34
• Pages of publication: 6557 - 6560
• a: 6.668 ± 0.0016 Å
• b: 19.172 ± 0.003 Å
• c: 14.717 ± 0.002 Å
• α: 90°
• β: 96.264 ± 0.019°
• γ: 90°
• Cell volume: 1870.2 ± 0.6 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0751
• Residual factor for significantly intense reflections: 0.0723
• Weighted residual factors for significantly intense reflections: 0.152
• Weighted residual factors for all reflections included in the refinement: 0.1536
• Goodness-of-fit parameter for all reflections included in the refinement: 1.235
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7153951
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No