Information card for entry 7155520

Structure parameters

• Formula: C24 H18 N2 O2
• Calculated formula: C24 H18 N2 O2
• SMILES: c1ccc2c(n1)n1c(c2)c(c(c2c1cccc2)c1ccccc1)C(=O)OCC
• Title of publication: Access to π-conjugated azaindole derivatives via rhodium(iii)-catalyzed cascade reaction of azaindoles and diazo compounds.
• Authors of publication: Liu, Chen-Fei; Zhang, Guo-Tai; Sun, Jun-Shu; Dong, Lin
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2017
• Journal volume: 15
• Journal issue: 14
• Pages of publication: 2902 - 2905
• a: 10.82 ± 0.004 Å
• b: 17.17 ± 0.02 Å
• c: 10.534 ± 0.005 Å
• α: 90°
• β: 105.49 ± 0.04°
• γ: 90°
• Cell volume: 1886 ± 2 ų
• Cell temperature: 290.55 ± 0.1 K
• Ambient diffraction temperature: 290.55 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1235
• Residual factor for significantly intense reflections: 0.076
• Weighted residual factors for significantly intense reflections: 0.206
• Weighted residual factors for all reflections included in the refinement: 0.2518
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No