Information card for entry 7061528

Structure parameters

• Formula: C26 H22 Cl N O6
• Calculated formula: C26 H22 Cl N O6
• SMILES: c12ccc(cc1[C@H]1[C@@]34C(=O)c5ccccc5[C@]3(O2)OC(=O)[C@@]4(CC(=O)OCC)N2[C@@H]1CCC2)Cl.c12ccc(cc1[C@@H]1[C@]34C(=O)c5ccccc5[C@@]3(O2)OC(=O)[C@]4(CC(=O)OCC)N2[C@H]1CCC2)Cl
• Title of publication: Convenient construction of polycyclic architectures via multicomponent reaction of amino acids, dialkyl but-2-ynedioates and 2-(o-hydroxyarylidene)-1,3-indanediones
• Authors of publication: Liu, Xueyan; Sun, Jing; Yan, Chao-Guo
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 24
• Pages of publication: 11877 - 11882
• a: 32.278 ± 0.006 Å
• b: 11.396 ± 0.002 Å
• c: 12.247 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4504.9 ± 1.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1084
• Residual factor for significantly intense reflections: 0.077
• Weighted residual factors for significantly intense reflections: 0.1764
• Weighted residual factors for all reflections included in the refinement: 0.187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No