Information card for entry 7159693

Structure parameters

• Formula: C28 H20 N2 O2
• Calculated formula: C28 H20 N2 O2
• SMILES: O=C1N2c3c(c4c1cccc4)cccc3N(C(=O)C2c1ccccc1)Cc1ccccc1
• 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: 9.0733 ± 0.0017 Å
• b: 11.2285 ± 0.0018 Å
• c: 21.135 ± 0.004 Å
• α: 85.568 ± 0.007°
• β: 87.255 ± 0.008°
• γ: 81.71 ± 0.007°
• Cell volume: 2122.9 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.1088
• Residual factor for significantly intense reflections: 0.0752
• Weighted residual factors for significantly intense reflections: 0.2278
• Weighted residual factors for all reflections included in the refinement: 0.2705
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No