Information card for entry 1508312

Structure parameters

• Formula: C34.5 H29 Cl3 N1.5 O6
• Calculated formula: C34.5 H29 Cl3 N1.5 O6
• Title of publication: Asymmetric construction of functionalized bicyclic imides via [3 + 2] annulation of MBH carbonates catalyzed by dipeptide-based phosphines.
• Authors of publication: Zhong, Fangrui; Chen, Guo-Ying; Han, Xiaoyu; Yao, Weijun; Lu, Yixin
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 14
• Pages of publication: 3764 - 3767
• a: 28.605 ± 0.0019 Å
• b: 16.6826 ± 0.0011 Å
• c: 15.5685 ± 0.001 Å
• α: 90°
• β: 116.439 ± 0.001°
• γ: 90°
• Cell volume: 6652.3 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0865
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.1901
• Weighted residual factors for all reflections included in the refinement: 0.2006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No