Information card for entry 1553951

Structure parameters

• Formula: C25 H30 N2 O3.5 Rh
• Calculated formula: C25 H30 N2 O3.5 Rh
• SMILES: [Rh]12345(OC(=O)C)([n]6c(n7c5cc5ccccc75)cccc6)[c]5([c]1([c]2([c]3([c]45C)C)C)C)C.O.O
• Title of publication: Rh(iii)-Catalyzed regio- and stereoselective bisindolylation of vinyl acetate: an efficient approach toward (E)-1,2-bis(2-indolyl)ethenes
• Authors of publication: Qin, Wen-Bing; Li, Wei-Wei; Zhu, Peng-Fei; Mo, Xiao-Gang; Zhang, Hui-Jun; Wen, Ting-Bin
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2018
• Journal volume: 5
• Journal issue: 7
• Pages of publication: 1096
• a: 8.5997 ± 0.0003 Å
• b: 11.3141 ± 0.0005 Å
• c: 23.5957 ± 0.0009 Å
• α: 89.88 ± 0.003°
• β: 86.923 ± 0.003°
• γ: 89.086 ± 0.003°
• Cell volume: 2292.21 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0587
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1369
• Weighted residual factors for all reflections included in the refinement: 0.1411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No