Information card for entry 4123254

Structure parameters

• Formula: C24 H20 N2 O3
• Calculated formula: C24 H20 N2 O3
• SMILES: c1(=O)c(c(c2c(cccc2n1C)c1c(cccn1)C)c1ccccc1)C(=O)OC
• Title of publication: Rh-Catalyzed Decarbonylative Coupling with Alkynes via C-C Activation of Isatins.
• Authors of publication: Zeng, Rong; Dong, Guangbin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 4
• Pages of publication: 1408 - 1411
• a: 8.7932 ± 0.0019 Å
• b: 14.204 ± 0.003 Å
• c: 15.309 ± 0.003 Å
• α: 90°
• β: 94.193 ± 0.005°
• γ: 90°
• Cell volume: 1907 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.08
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.1246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No