Information card for entry 4038314

Structure parameters

• Formula: C15 H15 N O S
• Calculated formula: C15 H15 N O S
• Title of publication: One-Pot C-H Arylation/Lactamization Cascade Reaction of Free Benzylamines.
• Authors of publication: Chand-Thakuri, Pratibha; Landge, Vinod G.; Kapoor, Mohit; Young, Michael C.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 8.365 ± 0.005 Å
• b: 12.146 ± 0.007 Å
• c: 12.735 ± 0.008 Å
• α: 90°
• β: 98.233 ± 0.009°
• γ: 90°
• Cell volume: 1280.6 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0581
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1222
• Weighted residual factors for all reflections included in the refinement: 0.1368
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No