Information card for entry 1564788

Structure parameters

• Formula: C35 H23 Br N2 O5
• Calculated formula: C35 H23 Br N2 O5
• Title of publication: Dirhodium(II)-Catalysed Cycloisomerization of Azaenyne: Rapid Assembly of Centrally and Axially Chiral Isoindazoles Frameworks
• Authors of publication: Qiu, Shaotong; Gao, Xiang; Zhu, Shifa
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 8.9824 ± 0.0012 Å
• b: 10.3845 ± 0.0011 Å
• c: 15.312 ± 0.002 Å
• α: 90°
• β: 92.079 ± 0.013°
• γ: 90°
• Cell volume: 1427.3 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.1301
• Residual factor for significantly intense reflections: 0.0849
• Weighted residual factors for significantly intense reflections: 0.1807
• Weighted residual factors for all reflections included in the refinement: 0.2153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No