Information card for entry 4135418

Structure parameters

• Formula: C12 H13 F3 N2 O
• Calculated formula: C12 H13 F3 N2 O
• 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: 9.3765 ± 0.0004 Å
• b: 23.4519 ± 0.0009 Å
• c: 10.6409 ± 0.0004 Å
• α: 90°
• β: 90.0379 ± 0.0018°
• γ: 90°
• Cell volume: 2339.9 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.07 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: 0.0565
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.1272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No