Information card for entry 1555175

Structure parameters

• Formula: C26 H18 N4 O5
• Calculated formula: C26 H18 N4 O5
• SMILES: O=C1N(C(=O)[C@@]23N4c5c(C=C[C@H]4[C@@H]4[C@H]3C(=O)N(C4=O)C)cccc5N3[C@@]12c1ccccc1C3=O)C.O=C1N(C(=O)[C@]23N4c5c(C=C[C@@H]4[C@H]4[C@@H]3C(=O)N(C4=O)C)cccc5N3[C@]12c1ccccc1C3=O)C
• Title of publication: Copper-Mediated Oxidative Coupling of Benzamides with Maleimides via Directed C-H Cleavage.
• Authors of publication: Miura, Wataru; Hirano, Koji; Miura, Masahiro
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 16
• Pages of publication: 4034 - 4037
• a: 9.141 ± 0.006 Å
• b: 10.706 ± 0.009 Å
• c: 12.0986 ± 0.001 Å
• α: 73.26 ± 0.03°
• β: 68.76 ± 0.03°
• γ: 72.31 ± 0.04°
• Cell volume: 1030.1 ± 1.1 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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 significantly intense reflections: 0.0496
• Weighted residual factors for all reflections included in the refinement: 0.1505
• Goodness-of-fit parameter for all reflections included in the refinement: 0.801
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No