Information card for entry 4124886

Structure parameters

• Formula: C24 H30 N O3 P
• Calculated formula: C24 H30 N O3 P
• SMILES: c1cc2cc(cc(c2n1P(=O)(C(C)(C)C)C(C)(C)C)c1ccccc1)C(=O)OC
• Title of publication: Palladium-Catalyzed C-H Arylation of Indoles at the C7 Position.
• Authors of publication: Yang, Youqing; Qiu, Xiaodong; Zhao, Yue; Mu, Yucheng; Shi, Zhuangzhi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 2
• Pages of publication: 495 - 498
• a: 8.3302 ± 0.0013 Å
• b: 9.3214 ± 0.0014 Å
• c: 16.577 ± 0.003 Å
• α: 76.866 ± 0.002°
• β: 76.336 ± 0.003°
• γ: 67.324 ± 0.002°
• Cell volume: 1140.7 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0732
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1733
• Weighted residual factors for all reflections included in the refinement: 0.1853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No