Information card for entry 7155139

Structure parameters

• Formula: C24 H26 N2 O10
• Calculated formula: C24 H26 N2 O10
• SMILES: c1ccccc1C[C@H]1[C@H]2C(=O)NC(=O)[C@H]2[C@](C(=O)OC)(CC(=O)OC)N1/C(=C/C(=O)OC)C(=O)OC.c1ccccc1C[C@@H]1[C@@H]2C(=O)NC(=O)[C@@H]2[C@@](C(=O)OC)(CC(=O)OC)N1/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: 13.2804 ± 0.0018 Å
• b: 12.6107 ± 0.0015 Å
• c: 17.7624 ± 0.0019 Å
• α: 90°
• β: 125.573 ± 0.007°
• γ: 90°
• Cell volume: 2419.6 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1011
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.1464
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No