Information card for entry 7244523

Structure parameters

• Formula: C26 H25 N3 O6
• Calculated formula: C26 H25 N3 O6
• SMILES: O=C1N(C(=O)C(=C(\c2ccc(cc2)C)C(=O)OCC)/[C@@]1([C@@H]1C(=O)N(C(=O)C1)C)c1ncccc1)C.O=C1N(C(=O)C(=C(\c2ccc(cc2)C)C(=O)OCC)/[C@]1([C@H]1C(=O)N(C(=O)C1)C)c1ncccc1)C
• Title of publication: Blue LED induced solvent-free multicomponent reactions among aryl diazoacetates, pyridine derivatives and maleimides: direct eco-friendly synthesis of densely functionalized itaconimides
• Authors of publication: Maiti, Debajit; Das, Ranajit; Prabakar, Tejas; Sen, Subhabrata
• Journal of publication: Green Chemistry
• Year of publication: 2022
• Journal volume: 24
• Journal issue: 7
• Pages of publication: 3001 - 3008
• a: 12.6825 ± 0.0003 Å
• b: 14.325 ± 0.0004 Å
• c: 26.5675 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4826.7 ± 0.2 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1499
• Residual factor for significantly intense reflections: 0.1071
• Weighted residual factors for significantly intense reflections: 0.288
• Weighted residual factors for all reflections included in the refinement: 0.3348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No