Information card for entry 7128129

Structure parameters

• Formula: C24 H19 N3 O3
• Calculated formula: C24 H19 N3 O3
• SMILES: O1c2nc3ccccc3cc2C(c2c1n(nc2C)c1ccccc1)C(=C)C(=O)OC
• Title of publication: Enantioselective synthesis of functionalized 1,4-dihydropyrazolo-[4',3':5,6]pyrano[2,3-<i>b</i>]quinolines through ferrocenyl-phosphine-catalyzed annulation of modified MBH carbonates and pyrazolones.
• Authors of publication: Xiao, Xiao; Shao, Bingxuan; Li, Jingyi; Yang, Zehui; Lu, Yin-Jie; Ling, Fei; Zhong, Weihui
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 38
• Pages of publication: 4690 - 4693
• a: 14.7277 ± 0.0005 Å
• b: 12.293 ± 0.0004 Å
• c: 21.1373 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3826.9 ± 0.2 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170.15 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.0988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No