Information card for entry 4035659

Structure parameters

• Formula: C35 H26 N2
• Calculated formula: C35 H26 N2
• SMILES: n1nc(c(c2cccc(C)c12)c1ccccc1)c1ccccc1C(=C\c1ccccc1)\c1ccccc1
• Title of publication: Synthesis of Cinnolines and Cinnolinium Salt Derivatives by Rh(III)-Catalyzed Cascade Oxidative Coupling/Cyclization Reactions.
• Authors of publication: Wang, Yanwei; Li, Bin; Wang, Baiquan
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 18
• Pages of publication: 10845 - 10854
• a: 13.627 ± 0.006 Å
• b: 13.804 ± 0.006 Å
• c: 13.675 ± 0.007 Å
• α: 90°
• β: 91.26 ± 0.02°
• γ: 90°
• Cell volume: 2572 ± 2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 3
• 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: 0.068
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1166
• Weighted residual factors for all reflections included in the refinement: 0.1338
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No