Information card for entry 7123744

Structure parameters

• Common name: 3o in manuscript
• Formula: C29 H30 N2 O3 S
• Calculated formula: C29 H30 N2 O3 S
• Title of publication: Gold(III)-Catalyzed Chemoselective Annulations of Anthranils with N-Allylynamides for the Synthesis of 3-Azabicyclo[3.1.0]hexan-2-imines
• Authors of publication: Song, Lina; Tian, Xianhai; Rudolph, Matthias; Rominger, Frank -; Hashmi, Stephen
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 6.607 ± 0.0015 Å
• b: 10.215 ± 0.002 Å
• c: 18.879 ± 0.004 Å
• α: 80.717 ± 0.005°
• β: 82.997 ± 0.005°
• γ: 83.968 ± 0.005°
• Cell volume: 1243.3 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1033
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1293
• Weighted residual factors for all reflections included in the refinement: 0.1519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No