Information card for entry 7227708

Structure parameters

• Formula: C27 H23 N O2
• Calculated formula: C27 H23 N O2
• SMILES: O(C(=O)N(Cc1ccccc1)Cc1ccccc1)c1ccc(cc1)c1ccccc1
• Title of publication: A copper-catalyzed oxidative coupling reaction of arylboronic acids, amines and carbon dioxide using molecular oxygen as the oxidant
• Authors of publication: Xiong, Wenfang; Qi, Chaorong; Guo, Tianzuo; Zhang, Min; Chen, Kai; Jiang, Huanfeng
• Journal of publication: Green Chem.
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 7
• Pages of publication: 1642
• a: 10.4147 ± 0.0005 Å
• b: 10.8221 ± 0.0008 Å
• c: 11.4326 ± 0.0007 Å
• α: 63.221 ± 0.007°
• β: 63.896 ± 0.005°
• γ: 74.519 ± 0.005°
• Cell volume: 1029.22 ± 0.13 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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 all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.0927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No