Information card for entry 4024423

Structure parameters

• Formula: C31 H32 N4 O3
• Calculated formula: C31 H32 N4 O3
• SMILES: O(c1ccc(c2nc3n(c2NCC(=O)OCC)c2c(nc3c3ccccc3)cc(c(c2)C)C)cc1)C(C)C
• Title of publication: Imidazo[1,2-a]quinoxalines Accessed via Two Sequential Isocyanide-Based Multicomponent Reactions
• Authors of publication: Mikhail Krasavin; Sergey Shkavrov; Vladislav Parchinsky; Konstantin Bukhryakov
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 2627 - 2629
• a: 23.04 ± 0.008 Å
• b: 11.81 ± 0.004 Å
• c: 9.619 ± 0.003 Å
• α: 90°
• β: 92.597 ± 0.007°
• γ: 90°
• Cell volume: 2614.7 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0909
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.0694
• Weighted residual factors for all reflections included in the refinement: 0.0747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No