Information card for entry 4517641

Structure parameters

• Formula: C19 H16 Br N O2
• Calculated formula: C19 H16 Br N O2
• Title of publication: Gold(I)-Catalyzed Highly Enantioselective [4 + 2]-Annulations of Cyclopentadienes with Nitrosoarenes via Nitroso-Povarov versus Oxidative Nitroso-Povarov Reactions
• Authors of publication: Jadhav, Prakash D.; Chen, Jia-Xuan; Liu, Rai-Shung
• Journal of publication: ACS Catalysis
• Year of publication: 2020
• Pages of publication: 5840
• a: 6.4745 ± 0.0005 Å
• b: 6.9054 ± 0.0005 Å
• c: 18.0777 ± 0.0014 Å
• α: 90°
• β: 99.293 ± 0.002°
• γ: 90°
• Cell volume: 797.63 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0229
• Residual factor for significantly intense reflections: 0.0217
• Weighted residual factors for significantly intense reflections: 0.0518
• Weighted residual factors for all reflections included in the refinement: 0.0661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No