Information card for entry 7061525

Structure parameters

• Formula: C23 H19 N O6
• Calculated formula: C23 H19 N O6
• SMILES: c12ccccc1[C@H]1[C@]34[C@@](c5ccccc5C3=O)(O2)OC(=O)[C@@]4(CC(=O)OC)N(C)C1.c12ccccc1[C@@H]1[C@@]34[C@](c5ccccc5C3=O)(O2)OC(=O)[C@]4(CC(=O)OC)N(C)C1
• 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: 7.779 ± 0.001 Å
• b: 10.3103 ± 0.0013 Å
• c: 13.8093 ± 0.0018 Å
• α: 101.22 ± 0.004°
• β: 102.899 ± 0.004°
• γ: 107.946 ± 0.004°
• Cell volume: 984.8 ± 0.2 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: 0.0588
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1124
• Weighted residual factors for all reflections included in the refinement: 0.1213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No