Information card for entry 7225073

Structure parameters

• Formula: C20 H22 N2
• Calculated formula: C20 H22 N2
• SMILES: N1([C@H]2c3c(N[C@H]([C@H]2CC1)C1CC1)cccc3)c1ccccc1.N1([C@@H]2c3c(N[C@@H]([C@@H]2CC1)C1CC1)cccc3)c1ccccc1
• Title of publication: The cyclopropylimine rearrangement/Povarov reaction cascade for the assembly of pyrrolo[3,2-c]quinoline derivatives
• Authors of publication: Cai, Jinhui; Li, Feifei; Deng, Guo-Jun; Ji, Xiaochen; Huang, Huawen
• Journal of publication: Green Chem.
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 12
• Pages of publication: 3503
• a: 10.815 ± 0.002 Å
• b: 19.201 ± 0.004 Å
• c: 7.858 ± 0.0016 Å
• α: 90°
• β: 104.8 ± 0.03°
• γ: 90°
• Cell volume: 1577.6 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1286
• Residual factor for significantly intense reflections: 0.076
• Weighted residual factors for significantly intense reflections: 0.2097
• Weighted residual factors for all reflections included in the refinement: 0.2812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No