Information card for entry 7155138

Structure parameters

• Formula: C19 H24 N2 O10
• Calculated formula: C19 H24 N2 O10
• SMILES: CN1C(=O)[C@@H]2[C@H](C1=O)[C@@](C(=O)OC)(CC(=O)OC)N([C@@H]2C)C(=C\C(=O)OC)\C(=O)OC.CN1C(=O)[C@H]2[C@@H](C1=O)[C@](C(=O)OC)(CC(=O)OC)N([C@H]2C)C(=C\C(=O)OC)\C(=O)OC
• Title of publication: Molecular diversity of the three-component reaction of α-amino acids, dialkyl acetylenedicarboxylates and N-substituted maleimides.
• Authors of publication: Chen, Liang; Sun, Jing; Xie, Ju; Yan, Chao-Guo
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 27
• Pages of publication: 6497 - 6507
• a: 8.6218 ± 0.0014 Å
• b: 15.664 ± 0.002 Å
• c: 16.949 ± 0.003 Å
• α: 77.049 ± 0.005°
• β: 78.276 ± 0.004°
• γ: 89.931 ± 0.005°
• Cell volume: 2181.9 ± 0.6 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: 0.1215
• Residual factor for significantly intense reflections: 0.0705
• Weighted residual factors for significantly intense reflections: 0.1796
• Weighted residual factors for all reflections included in the refinement: 0.1974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No