Information card for entry 7123743

Structure parameters

• Common name: 3l in manuscript
• Formula: C25 H20 Br Cl N2 O3 S
• Calculated formula: C25 H20 Br Cl 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: 10.2022 ± 0.0008 Å
• b: 10.4755 ± 0.0009 Å
• c: 11.83 ± 0.001 Å
• α: 74.3668 ± 0.0012°
• β: 67.2826 ± 0.0012°
• γ: 79.7541 ± 0.0012°
• Cell volume: 1119.2 ± 0.16 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0585
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections included in the refinement: 0.0809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No