Information card for entry 7159961

Structure parameters

• Formula: C26 H31 N3 O3
• Calculated formula: C26 H31 N3 O3
• Title of publication: Ruthenium-catalyzed C-H functionalization of indoles and indolines with 7-azabenzonorbornadienes: access to aminodihydronaphthyl indoles and indolines.
• Authors of publication: Chen, Jia-Zhen; Wang, Zhong-Xia
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 25
• Pages of publication: 5159 - 5169
• a: 7.1717 ± 0.0002 Å
• b: 10.4991 ± 0.0004 Å
• c: 17.0401 ± 0.0006 Å
• α: 101.248 ± 0.003°
• β: 90.923 ± 0.003°
• γ: 107.566 ± 0.003°
• Cell volume: 1195.87 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0467
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No