Information card for entry 7061526

Structure parameters

• Formula: C26 H23 N O8
• Calculated formula: C26 H23 N O8
• SMILES: C1(=O)c2ccccc2[C@@]23[C@@]41[C@@H](c1ccccc1O2)[C@H](C(=O)OCC)N[C@]4(C(=O)O3)CC(=O)OCC.C1(=O)c2ccccc2[C@]23[C@]41[C@H](c1ccccc1O2)[C@@H](C(=O)OCC)N[C@@]4(C(=O)O3)CC(=O)OCC
• 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: 9.6614 ± 0.0013 Å
• b: 10.9894 ± 0.0014 Å
• c: 12.1915 ± 0.0015 Å
• α: 78.66 ± 0.004°
• β: 87.713 ± 0.004°
• γ: 64.648 ± 0.004°
• Cell volume: 1145.5 ± 0.3 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: 0.0827
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.1623
• Weighted residual factors for all reflections included in the refinement: 0.1715
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No