Information card for entry 1507568

Structure parameters

• Formula: C34 H35 Cu N3 P
• Calculated formula: C34 H35 Cu N3 P
• SMILES: [Cu]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)[N](c2ccccc2N1c1ccccc1N(C)C)(C)C
• Title of publication: Copper-catalyzed alkylation of benzoxazoles with secondary alkyl halides.
• Authors of publication: Ren, Peng; Salihu, Isuf; Scopelliti, Rosario; Hu, Xile
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 7
• Pages of publication: 1748 - 1751
• a: 12.1586 ± 0.0008 Å
• b: 12.6802 ± 0.0016 Å
• c: 19.525 ± 0.004 Å
• α: 90°
• β: 103.689 ± 0.013°
• γ: 90°
• Cell volume: 2924.7 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0466
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0726
• Weighted residual factors for all reflections included in the refinement: 0.0783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No