Information card for entry 7218413

Structure parameters

• Formula: C17 H13 N
• Calculated formula: C17 H13 N
• SMILES: n1cc(cc(c2ccccc2)c1)c1ccccc1
• Title of publication: Metal-free synthesis of substituted pyridines from aldehydes and NH4OAc under air
• Authors of publication: Yan, Rulong; Zhou, Xiaoqiang; Li, Ming; Li, Xiaoni; Kang, Xing; Liu, Xingxing; Huo, Xing; Huang, Guosheng
• Journal of publication: RSC Adv.
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 92
• Pages of publication: 50369
• a: 6.5135 ± 0.0013 Å
• b: 7.3675 ± 0.001 Å
• c: 13.814 ± 0.002 Å
• α: 78.153 ± 0.013°
• β: 76.412 ± 0.016°
• γ: 90.06 ± 0.014°
• Cell volume: 629.78 ± 0.19 ų
• Cell temperature: 297.1 ± 0.3 K
• Ambient diffraction temperature: 297.1 ± 0.3 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: 0.1594
• Residual factor for significantly intense reflections: 0.0948
• Weighted residual factors for significantly intense reflections: 0.2805
• Weighted residual factors for all reflections included in the refinement: 0.3187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No