Information card for entry 1555177

Structure parameters

• Formula: C21 H15 N3 O3
• Calculated formula: C21 H15 N3 O3
• SMILES: O=C1N(C(=O)CC21N(C(=O)c1c2cccc1)c1c2ncccc2ccc1)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: 16.334 ± 0.009 Å
• b: 13.572 ± 0.007 Å
• c: 7.87 ± 0.005 Å
• α: 90°
• β: 104.13 ± 0.03°
• γ: 90°
• Cell volume: 1691.9 ± 1.7 ų
• Cell temperature: 273 K
• Ambient diffraction temperature: 273 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 significantly intense reflections: 0.0435
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No