Information card for entry 1542952

Structure parameters

• Formula: C20 H22 N2 O3 S
• Calculated formula: C20 H22 N2 O3 S
• Title of publication: A Direct Access to 7-Aminoindoles via Iridium-Catalyzed Mild C-H Amidation of N-Pivaloylindoles with Organic Azides.
• Authors of publication: Kim, Youyoung; Park, Juhyeon; Chang, Sukbok
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 8
• Pages of publication: 1892 - 1895
• a: 13.5634 ± 0.0004 Å
• b: 9.094 ± 0.0003 Å
• c: 15.4845 ± 0.0004 Å
• α: 90°
• β: 100.494 ± 0.0011°
• γ: 90°
• Cell volume: 1878 ± 0.1 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0616
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No