Information card for entry 7118596

Structure parameters

• Formula: C23 H19 N2
• Calculated formula: C23 H18 N2
• SMILES: N1(CCc2c1nc1c(c2c2ccccc2)cccc1)c1ccccc1
• Title of publication: Rh(ii)-Catalyzed formation of pyrrolo[2,3-b]quinolines from azide-methylenecyclopropanes and isonitriles.
• Authors of publication: Chen, Kai; Tang, Xiang-Ying; Shi, Min
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 9
• Pages of publication: 1967 - 1970
• a: 6.2745 ± 0.0008 Å
• b: 10.4378 ± 0.0012 Å
• c: 13.5235 ± 0.0016 Å
• α: 109.644 ± 0.003°
• β: 97.81 ± 0.003°
• γ: 90.942 ± 0.003°
• Cell volume: 824.56 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0688
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.1294
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No