Information card for entry 1546232

Structure parameters

• Formula: C24 H14 F3 N O
• Calculated formula: C24 H14 F3 N O
• SMILES: c1(ccc(cc1)c1cnc(c(c1)c1ccc(cc1)F)C(=O)c1ccc(cc1)F)F
• Title of publication: Oxidative Trimerization of Amino Acids: Selective Synthesis of 2,3,5-Trisubstituted Pyridines.
• Authors of publication: Xiang, Jia-Chen; Cheng, Yan; Wang, Zi-Xuan; Ma, Jin-Tian; Wang, Miao; Tang, Bo-Cheng; Wu, Yan-Dong; Wu, An-Xin
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 11
• Pages of publication: 2997 - 3000
• a: 10.4652 ± 0.0012 Å
• b: 10.8048 ± 0.0011 Å
• c: 17.209 ± 0.002 Å
• α: 90°
• β: 105.635 ± 0.003°
• γ: 90°
• Cell volume: 1873.9 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0944
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.1571
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No