Information card for entry 7159151

Structure parameters

• Formula: C25 H21 N O
• Calculated formula: C25 H21 N O
• SMILES: O=C(c1nc2c(cc1c1ccc(cc1)C)cc(cc2)C)c1ccc(cc1)C
• Title of publication: Aniline assisted dimerization of phenylalanines: convenient synthesis of 2-aroyl-3-arylquinoline in an I₂-DMSO system.
• Authors of publication: Ma, Jin-Tian; Chen, Ting; Chen, Xiang-Long; Zhou, You; Yu, Zhi-Cheng; Zhuang, Shi-Yi; Wu, Yan-Dong; Xiang, Jia-Chen; Wu, An-Xin
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 10
• Pages of publication: 2091 - 2095
• a: 8.2419 ± 0.0015 Å
• b: 10.5399 ± 0.0019 Å
• c: 11.222 ± 0.002 Å
• α: 99.154 ± 0.003°
• β: 93.011 ± 0.003°
• γ: 102.359 ± 0.003°
• Cell volume: 936.3 ± 0.3 ų
• Cell temperature: 296 ± 1 K
• Ambient diffraction temperature: 296 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.072
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1652
• Weighted residual factors for all reflections included in the refinement: 0.187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No