Information card for entry 1553891

Structure parameters

• Formula: C27 H35 N O1.5 P
• Calculated formula: C27 H35 N O1.5 P
• 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: 10.5217 ± 0.0013 Å
• b: 14.8118 ± 0.0018 Å
• c: 29.451 ± 0.003 Å
• α: 90°
• β: 94.42 ± 0.003°
• γ: 90°
• Cell volume: 4576.1 ± 0.9 ų
• Cell temperature: 128 ± 2 K
• Ambient diffraction temperature: 128 ± 2 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: 0.0427
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No