Information card for entry 7157428

Structure parameters

• Formula: C26 H24 N2 O2
• Calculated formula: C26 H24 N2 O2
• SMILES: O=C(N(OC)C)/C(=C(/c1n(c2c(cccc2)c1)C)c1ccccc1)c1ccccc1
• Title of publication: The ruthenium(ii)-catalyzed C-H olefination of indoles with alkynes: the facile construction of tetrasubstituted alkenes under aqueous conditions.
• Authors of publication: Li, Ming; Yao, Tian-Yu; Sun, Sheng-Zheng; Yan, Ting-Xun; Wen, Li-Rong; Zhang, Lin-Bao
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 16
• Pages of publication: 3158 - 3163
• a: 9.778 ± 0.0002 Å
• b: 10.6122 ± 0.0002 Å
• c: 11.1756 ± 0.0002 Å
• α: 103.043 ± 0.001°
• β: 104.128 ± 0.002°
• γ: 92.353 ± 0.002°
• Cell volume: 1089.87 ± 0.04 ų
• Cell temperature: 170 ± 0.1 K
• Ambient diffraction temperature: 170 ± 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: 0.043
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No