Information card for entry 4135411

Structure parameters

• Formula: C22 H25 N3 O3 S
• Calculated formula: C22 H25 N3 O3 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: 9.134 ± 0.0007 Å
• b: 14.443 ± 0.001 Å
• c: 15.714 ± 0.001 Å
• α: 90°
• β: 91.365 ± 0.003°
• γ: 90°
• Cell volume: 2072.4 ± 0.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0659
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1519
• Weighted residual factors for all reflections included in the refinement: 0.1623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No