Information card for entry 7157704

Structure parameters

• Formula: C21 H21 N O3
• Calculated formula: C21 H21 N O3
• Title of publication: Iron-catalyzed radical cascade 6-<i>endo</i> cyclization of dienes towards fused nitrogen heterocycles initiated by an alkoxycarbonyl radical.
• Authors of publication: Qiao, Shanshan; Qian, Peng-Cheng; Chen, Fan; Cheng, Jiang
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 36
• Pages of publication: 7086 - 7089
• a: 8.3648 ± 0.0003 Å
• b: 24.4988 ± 0.0011 Å
• c: 8.6463 ± 0.0004 Å
• α: 90°
• β: 106.405 ± 0.002°
• γ: 90°
• Cell volume: 1699.73 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0564
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1099
• Weighted residual factors for all reflections included in the refinement: 0.1218
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No