Information card for entry 4131613

Structure parameters

• Formula: C24 H22 N2 O4
• Calculated formula: C24 H22 N2 O4
• SMILES: c12N3[C@@]45N(C(=O)C3=O)[C@H]([C@@](OC)(C[C@@H]4[C@@](O)(c2cccc1)C)C=C5)c1ccccc1.c12N3[C@]45N(C(=O)C3=O)[C@@H]([C@](OC)(C[C@H]4[C@](O)(c2cccc1)C)C=C5)c1ccccc1
• 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: 13.5506 ± 0.0014 Å
• b: 17.0353 ± 0.0017 Å
• c: 19.4352 ± 0.0019 Å
• α: 90°
• β: 96.963 ± 0.001°
• γ: 90°
• Cell volume: 4453.3 ± 0.8 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0686
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No