Information card for entry 4032699

Structure parameters

• Formula: C31 H19 N
• Calculated formula: C31 H19 N
• SMILES: c12cccc3c1c1c(cc3)c3c(cc1cc2)cc(c(c1ccccc1)n3)c1ccccc1
• Title of publication: Divergent Synthesis of Functionalized Quinolines from Aniline and Two Distinct Amino Acids.
• Authors of publication: Xiang, Jia-Chen; Wang, Zi-Xuan; Cheng, Yan; Xia, Shi-Qing; Wang, Miao; Tang, Bo-Cheng; Wu, Yan-Dong; Wu, An-Xin
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 17
• Pages of publication: 9210 - 9216
• a: 7.26 ± 0.003 Å
• b: 9.935 ± 0.004 Å
• c: 14.865 ± 0.006 Å
• α: 94.186 ± 0.012°
• β: 102.936 ± 0.011°
• γ: 99.694 ± 0.012°
• Cell volume: 1023.2 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.1363
• Residual factor for significantly intense reflections: 0.076
• Weighted residual factors for significantly intense reflections: 0.1853
• Weighted residual factors for all reflections included in the refinement: 0.2348
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No