Information card for entry 4131619

Structure parameters

• Common name: dmk36913b
• Formula: C32 H27 N3 O4
• Calculated formula: C32 H27 N3 O4
• SMILES: O(c1cc2[C@@H]3N4[C@]56N(c7c(cccc7)C(=C5C[C@@]3(N[C@H](c2c(OC)c1)c1ccccc1)C=C6)C)C(=O)C4=O)C.O(c1cc2[C@H]3N4[C@@]56N(c7c(cccc7)C(=C5C[C@]3(N[C@@H](c2c(OC)c1)c1ccccc1)C=C6)C)C(=O)C4=O)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: 29.116 ± 0.006 Å
• b: 12.199 ± 0.002 Å
• c: 15.114 ± 0.003 Å
• α: 90°
• β: 108.42 ± 0.03°
• γ: 90°
• Cell volume: 5093.2 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0886
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.263
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No