Information card for entry 4032098

Structure parameters

• Formula: C21 H17 N O
• Calculated formula: C21 H17 N O
• SMILES: c1(c2ccccc2[nH]c1c1ccccc1)c1ccc(cc1)OC
• Title of publication: Palladium-Catalyzed Synthesis of Indoles and Isoquinolines with in Situ Generated Phosphinimine.
• Authors of publication: Zhou, Qi; Zhang, Zhikun; Zhou, Yujing; Li, Shichao; Zhang, Yan; Wang, Jianbo
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 1
• Pages of publication: 48 - 56
• a: 9.2902 ± 0.0009 Å
• b: 18.1269 ± 0.0013 Å
• c: 9.1449 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1540 ± 0.2 ų
• Cell temperature: 152.01 ± 0.1 K
• Ambient diffraction temperature: 152.01 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0948
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.1467
• Weighted residual factors for all reflections included in the refinement: 0.1659
• 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