Information card for entry 4131615

Structure parameters

• Formula: C24 H22 N2 O4
• Calculated formula: C24 H22 N2 O4
• SMILES: O(C1=C[C@@H]2[C@@]34N(c5ccccc5[C@@](O)([C@@H]4C1)C)C(=O)C(=O)N3[C@@H]2c1ccccc1)C.O(C1=C[C@H]2[C@]34N(c5ccccc5[C@](O)([C@H]4C1)C)C(=O)C(=O)N3[C@H]2c1ccccc1)C
• Title of publication: Step-Economical Photoassisted Diversity-Oriented Synthesis: Sustaining Cascade Photoreactions in Oxalyl Anilides to Access Complex Polyheterocyclic Molecular Architectures.
• Authors of publication: Kuznetsov, Dmitry M.; Kutateladze, Andrei G.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 46
• Pages of publication: 16584 - 16590
• a: 19.1625 ± 0.0006 Å
• b: 9.8346 ± 0.0002 Å
• c: 10.853 ± 0.0003 Å
• α: 90°
• β: 103.106 ± 0.002°
• γ: 90°
• Cell volume: 1992.03 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0306
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.0838
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No