Information card for entry 7156818

Structure parameters

• Formula: C22 H16 N2
• Calculated formula: C22 H16 N2
• Title of publication: Superbase-promoted selective carbon-carbon bond cleavage driven by aromatization.
• Authors of publication: Liu, Can; Zhu, Xianjin; Han, Yongzhen; Yang, Haijun; Zhu, Changjin; Fu, Hua
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 20
• Pages of publication: 4984 - 4989
• a: 4.84497 ± 0.00009 Å
• b: 20.0214 ± 0.0004 Å
• c: 15.7697 ± 0.0003 Å
• α: 90°
• β: 96.9103 ± 0.0018°
• γ: 90°
• Cell volume: 1518.6 ± 0.05 ų
• Cell temperature: 108.9 ± 0.7 K
• Ambient diffraction temperature: 108.9 ± 0.7 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No