Information card for entry 1508732

Structure parameters

• Formula: C25 H28 N2 O2
• Calculated formula: C25 H28 N2 O2
• SMILES: CN(C)c1ccc(cc1)C(c1ccc(cc1)N(C)C)C(=O)c1ccc(cc1)OC
• Title of publication: I2-CF3SO3H synergistic promoted sp3 C-H bond diarylation of aromatic ketones.
• Authors of publication: Zhu, Yan-ping; Jia, Feng-cheng; Liu, Mei-cai; Wu, Liu-ming; Cai, Qun; Gao, Yang; Wu, An-xin
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 20
• Pages of publication: 5378 - 5381
• a: 14.0263 ± 0.001 Å
• b: 10.0105 ± 0.0008 Å
• c: 15.8497 ± 0.0011 Å
• α: 90°
• β: 107.79 ± 0.002°
• γ: 90°
• Cell volume: 2119 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1358
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for significantly intense reflections: 0.1408
• Weighted residual factors for all reflections included in the refinement: 0.1596
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No