Information card for entry 4038471

Structure parameters

• Formula: C23 H20 N2 O2 S
• Calculated formula: C23 H20 N2 O2 S
• Title of publication: Transition-Metal-Free Stereospecific Oxidative Annulative Coupling of Indolines with Aziridines.
• Authors of publication: Karjee, Pallab; Sarkar, Tanumay; Kar, Subhradeep; Punniyamurthy, Tharmalingam
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 11.3599 ± 0.0009 Å
• b: 8.5436 ± 0.0007 Å
• c: 21.1845 ± 0.0016 Å
• α: 90°
• β: 102.804 ± 0.002°
• γ: 90°
• Cell volume: 2004.9 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.084
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.144
• Weighted residual factors for all reflections included in the refinement: 0.1701
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No