Information card for entry 7154239

Structure parameters

• Formula: C23 H18 N2
• Calculated formula: C23 H18 N2
• SMILES: N1C(c2c(nc3c(c2C)cccc3)c2c1cccc2)c1ccccc1
• Title of publication: A Sc(OTf)3-catalyzed cascade reaction of o-aminoacetophenone with methanamine: construction of dibenzo[b,h][1,6]naphthyridine derivatives.
• Authors of publication: Mao, Dan; Tang, Jun; Wang, Wenbo; Liu, Xin; Wu, Shengying; Yu, Jianjun; Wang, Limin
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 7
• Pages of publication: 2122 - 2128
• a: 8.1644 ± 0.0009 Å
• b: 10.198 ± 0.0011 Å
• c: 21.107 ± 0.002 Å
• α: 90°
• β: 101.151 ± 0.001°
• γ: 90°
• Cell volume: 1724.2 ± 0.3 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: 0.07
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1587
• Weighted residual factors for all reflections included in the refinement: 0.1697
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No