Information card for entry 7128497

Structure parameters

• Formula: C19 H11 N O
• Calculated formula: C19 H11 N O
• SMILES: O=C1c2c(n3c4c(cccc4)cc13)cc1c(cccc1)c2
• 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: 6.9273 ± 0.0011 Å
• b: 7.8721 ± 0.0011 Å
• c: 23.101 ± 0.002 Å
• α: 90°
• β: 92.56 ± 0.012°
• γ: 90°
• Cell volume: 1258.5 ± 0.3 ų
• Cell temperature: 150.01 ± 0.13 K
• Ambient diffraction temperature: 150.01 ± 0.13 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: 0.1626
• Residual factor for significantly intense reflections: 0.0886
• Weighted residual factors for significantly intense reflections: 0.2058
• Weighted residual factors for all reflections included in the refinement: 0.2821
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No