Information card for entry 1553892

Structure parameters

• Formula: C28 H24 N O2 P
• Calculated formula: C28 H24 N O2 P
• SMILES: P(=O)(c1n(c2ccc(OC)cc2c1c1ccccc1)C)(c1ccccc1)c1ccccc1
• Title of publication: The regioselective synthesis of 2-phosphinoylindoles via Rh(iii)-catalyzed C–H activation
• Authors of publication: Wang, Huanan; Li, Shuaiqi; Wang, Baiquan; Li, Bin
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2018
• Journal volume: 5
• Journal issue: 1
• Pages of publication: 88
• a: 24.609 ± 0.006 Å
• b: 9.508 ± 0.002 Å
• c: 21.415 ± 0.005 Å
• α: 90°
• β: 115.972 ± 0.004°
• γ: 90°
• Cell volume: 4504.7 ± 1.8 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213.15 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0569
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.132
• Weighted residual factors for all reflections included in the refinement: 0.1488
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No