Information card for entry 7157969

Structure parameters

• Formula: C25 H21 N3 O2
• Calculated formula: C25 H21 N3 O2
• Title of publication: Facile synthesis of carbamoylated benzimidazo[2,1-<i>a</i>]isoquinolin-6(5<i>H</i>)-ones <i>via</i> radical cascade cyclization under metal-free conditions.
• Authors of publication: Liu, Qi; Wang, Lei; Liu, Jie; Ruan, Shuchen; Li, Pinhua
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 15
• Pages of publication: 3489 - 3496
• a: 14.7925 ± 0.0018 Å
• b: 10.7843 ± 0.0013 Å
• c: 13.5803 ± 0.0017 Å
• α: 90°
• β: 111.899 ± 0.002°
• γ: 90°
• Cell volume: 2010.1 ± 0.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0491
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No