Information card for entry 4135412

Structure parameters

• Formula: C15 H19 N3 O2 S
• Calculated formula: C15 H19 N3 O2 S
• Title of publication: Decarboxylative Amination: Diazirines as Single and Double Electrophilic Nitrogen Transfer Reagents.
• Authors of publication: Chandrachud, Preeti P.; Wojtas, Lukasz; Lopchuk, Justin M.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 52
• Pages of publication: 21743 - 21750
• a: 7.9874 ± 0.0008 Å
• b: 16.3053 ± 0.0015 Å
• c: 11.7305 ± 0.0011 Å
• α: 90°
• β: 93.629 ± 0.003°
• γ: 90°
• Cell volume: 1524.7 ± 0.3 ų
• Cell temperature: 135 ± 2 K
• Ambient diffraction temperature: 135 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0385
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.0974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No