Information card for entry 4135415

Structure parameters

• Formula: C27.9 H22.9 Cl2.72 F17 N3 O2 S
• Calculated formula: C27.905 H22.905 Cl2.715 F17 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: 28.9093 ± 0.0007 Å
• b: 6.1109 ± 0.0001 Å
• c: 19.8414 ± 0.0004 Å
• α: 90°
• β: 104.537 ± 0.001°
• γ: 90°
• Cell volume: 3393 ± 0.12 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120.06 K
• Number of distinct elements: 7
• 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: 0.0672
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.1277
• 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: Yes
• Has Fobs: No