Information card for entry 4515541

Structure parameters

• Formula: C28 H26 N4 O7
• Calculated formula: C28 H26 N4 O7
• SMILES: c1cccc2c1N(C(=O)OC(C)(C)C)C(=O)[C@H]1[C@@H]2N[C@H]([C@@H]1c1c(cccc1)N(=O)=O)c1ccc(cc1)N(=O)=O
• Title of publication: Carbene-Catalyzed Enantioselective Addition of Benzylic Carbon to Unsaturated Acyl Azolium for Rapid Synthesis of Pyrrolo[3,2-c]quinolines
• Authors of publication: Wang, Jilan; Li, Yongjia; Sun, Jun; Wang, Hongling; Jin, Zhichao; Chi, Yonggui Robin
• Journal of publication: ACS Catalysis
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 10
• Pages of publication: 9859
• a: 9.0462 ± 0.0004 Å
• b: 11.8256 ± 0.0005 Å
• c: 23.9232 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2559.23 ± 0.18 ų
• Cell temperature: 108 ± 2 K
• Ambient diffraction temperature: 108 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1373
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for significantly intense reflections: 0.1144
• Weighted residual factors for all reflections included in the refinement: 0.1435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No