Information card for entry 7110004

Structure parameters

• Formula: C22 H19 N O2 S
• Calculated formula: C22 H19 N O2 S
• SMILES: s1c(c2C(=O)N(C(=O)c2c1c1ccccc1)CCCC)c1ccccc1
• Title of publication: Copper-catalyzed oxidation of arene-fused cyclic amines to cyclic imides
• Authors of publication: Xiaoyu Yan; Kun Fang; Hailan Liu; Chanjuan Xi
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 10650
• a: 8.669 ± 0.002 Å
• b: 20.723 ± 0.005 Å
• c: 10.75 ± 0.003 Å
• α: 90°
• β: 106.14 ± 0.02°
• γ: 90°
• Cell volume: 1855.1 ± 0.8 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• 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: 0.0994
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.0881
• Weighted residual factors for all reflections included in the refinement: 0.1026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No