Information card for entry 1547734

Structure parameters

• Formula: C24 H30 N4 O2
• Calculated formula: C24 H30 N4 O2
• SMILES: O(N1C(CCCC1(C)C)(C)C)C(Cc1cc2c(cccc2)n1c1ncccn1)C=O
• Title of publication: Three-Component Catalytic Carboxygenation of Activated Alkenes Enabled by Bimetallic Rh(III)/Cu(II) Catalysis.
• Authors of publication: Zhang, Shang-Shi; Xia, Jie; Wu, Jia-Qiang; Liu, Xu-Ge; Zhou, Chu-Jun; Lin, E.; Li, Qingjiang; Huang, Shi-Liang; Wang, Honggen
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 21
• Pages of publication: 5868 - 5871
• a: 17.5556 ± 0.0005 Å
• b: 17.5556 ± 0.0005 Å
• c: 14.122 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4352.4 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0455
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1245
• Weighted residual factors for all reflections included in the refinement: 0.1266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No