Information card for entry 7227774

Structure parameters

• Formula: C23 H17 N
• Calculated formula: C23 H17 N
• SMILES: n1c(c2ccccc2)cc(c2ccccc2)cc1c1ccccc1
• Title of publication: Acid-catalyzed tandem reaction for the synthesis of pyridine derivatives via CC/C(sp3)‒N bond cleavage of enones and primary amines
• Authors of publication: Mao, Zhong-Yuan; Liao, Xiao-Yun; Wang, Heng-Shan; Wang, Chun-Gu; Huang, Ke-Bin; Pan, Ying-Ming
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 22
• Pages of publication: 13123
• a: 7.521 ± 0.004 Å
• b: 19.628 ± 0.009 Å
• c: 11.313 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1670 ± 1.4 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0477
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1058
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No