Information card for entry 1554908

Structure parameters

• Formula: C24 H19 N O
• Calculated formula: C24 H19 N O
• SMILES: N1=C2c3ccccc3OCC2(/C=C/c2ccccc2)Cc2c1cccc2
• Title of publication: Synthesis of chromeno[4,3-b]quinolines and spirobenzofuran-3,3′-quinolines through silver-mediated Appel reaction/C‒Br bond cleavage/double selective rearrangement sequence
• Authors of publication: Zhao, Hong-Ping; Ma, Xiao-Pan; Nie, Shu-Min; Xiao, Yuhong; Mo, Dong-Liang
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 14
• Pages of publication: 2334
• a: 10.273 ± 0.004 Å
• b: 10.178 ± 0.004 Å
• c: 16.954 ± 0.007 Å
• α: 90°
• β: 99.61 ± 0.006°
• γ: 90°
• Cell volume: 1747.8 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• 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: 0.0504
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.1202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No