Information card for entry 7159074

Structure parameters

• Formula: C32 H21 Cl2 N O3
• Calculated formula: C32 H21 Cl2 N O3
• Title of publication: AlCl₃-catalyzed chemoselective cascade reactions of 4-anilinocoumarins with 2-furylcarbinols: access to densely functionalized chromeno[4,3-<i>b</i>]pyrrol-4(1<i>H</i>)-one derivatives.
• Authors of publication: Guan, Pengcheng; Ma, Rong; Liu, Minghui; Kong, Lingkai; Han, Yu; Wang, Chengyu
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 7
• Pages of publication: 1379 - 1383
• a: 16.0354 ± 0.0008 Å
• b: 8.8058 ± 0.0004 Å
• c: 21.4285 ± 0.0011 Å
• α: 90°
• β: 101.895 ± 0.002°
• γ: 90°
• Cell volume: 2960.8 ± 0.3 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• 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: 0.0613
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1301
• Weighted residual factors for all reflections included in the refinement: 0.1364
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No