Information card for entry 4514067

Structure parameters

• Formula: C24 H29 N3 O4
• Calculated formula: C24 H29 N3 O4
• Title of publication: Remote C6-Selective Ruthenium-Catalyzed C–H Alkylation of Indole Derivatives via σ-Activation
• Authors of publication: Leitch, Jamie A.; McMullin, Claire L.; Mahon, Mary F.; Bhonoah, Yunas; Frost, Christopher G.
• Journal of publication: ACS Catalysis
• Year of publication: 2017
• Pages of publication: 2616
• a: 7.2094 ± 0.0003 Å
• b: 12.0942 ± 0.0005 Å
• c: 13.0064 ± 0.0006 Å
• α: 106.921 ± 0.004°
• β: 90.76 ± 0.004°
• γ: 95.278 ± 0.003°
• Cell volume: 1079.4 ± 0.08 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No