Information card for entry 7128500

Structure parameters

• Formula: C16 H10 Cl N O S
• Calculated formula: C16 H10 Cl N O S
• SMILES: S(c1cc2n3c(cc4cc(Cl)ccc34)C(=O)c2cc1)C
• 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: 7.554 ± 0.002 Å
• b: 25.682 ± 0.004 Å
• c: 7.4204 ± 0.0018 Å
• α: 90°
• β: 117.47 ± 0.03°
• γ: 90°
• Cell volume: 1277.3 ± 0.6 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 K
• Number of distinct elements: 6
• 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: 0.145
• Residual factor for significantly intense reflections: 0.0936
• Weighted residual factors for significantly intense reflections: 0.2445
• Weighted residual factors for all reflections included in the refinement: 0.3183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No