Information card for entry 4031922

Structure parameters

• Chemical name: 7-phenyl-6H-chromeno[4,3-b]quinoline
• Formula: C22 H15 N O
• Calculated formula: C22 H15 N O
• SMILES: c1cccc2OCc3c(c4ccccc4)c4ccccc4nc3c12
• Title of publication: Modular Copper-Catalyzed Synthesis of Chromeno[4,3-b]quinolines with the Utilization of Diaryliodonium Salts.
• Authors of publication: Aradi, Klára; Bombicz, Petra; Novák, Zoltán
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 3
• Pages of publication: 920 - 931
• a: 5.7757 ± 0.0005 Å
• b: 11.9628 ± 0.0012 Å
• c: 11.9927 ± 0.0012 Å
• α: 70.251 ± 0.003°
• β: 89.805 ± 0.002°
• γ: 87.3 ± 0.002°
• Cell volume: 778.95 ± 0.13 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0837
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1539
• Weighted residual factors for all reflections included in the refinement: 0.1962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.157
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No