Information card for entry 7159692

Structure parameters

• Formula: C25 H21 F N2 O2
• Calculated formula: C25 H21 F N2 O2
• SMILES: Fc1ccc(C2N3C(=O)c4c(cccc4)c4c3c(N(C2=O)C(C)(C)C)ccc4)cc1
• Title of publication: Preparation of pyridopyrazines through tandem Pd-catalyzed C-N/C-C coupling reactions of Ugi adducts.
• Authors of publication: Takallou, Ahmad; Al-Siyabi, Munir; Al-Shidhani, Sulaiman; Lotfi Nosood, Yazdanbakhsh; Habibi, Azizollah; Almaani, Alhajaj; Anwar, Muhammad U.; Al-Harrasi, Ahmed
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 48
• Pages of publication: 9530 - 9533
• a: 13.9745 ± 0.0006 Å
• b: 20.9846 ± 0.0008 Å
• c: 7.8209 ± 0.0004 Å
• α: 90°
• β: 119.645 ± 0.001°
• γ: 90°
• Cell volume: 1993.27 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0462
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No