Information card for entry 7128498

Structure parameters

• Formula: C16 H10 Cl N O
• Calculated formula: C16 H10 Cl N O
• SMILES: Clc1ccc2n3c(cc2c1)C(=O)c1c3cc(C)cc1
• Title of publication: Cp*Co(III)-Catalyzed C−H Amination/Annulation Cascade of Sulfoxonium Ylides with Anthranils for the Synthesis of Indoloindolones
• Authors of publication: Aher, Yogesh N.; Pawar, Amit B.
• Journal of publication: Chemical Communications
• Year of publication: 2021
• a: 24.572 ± 0.002 Å
• b: 6.9489 ± 0.0007 Å
• c: 7.4796 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1277.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1279
• Residual factor for significantly intense reflections: 0.0845
• Weighted residual factors for significantly intense reflections: 0.2223
• Weighted residual factors for all reflections included in the refinement: 0.2889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No