Information card for entry 4026841

Structure parameters

• Formula: C23 H24 Cl2 N2 O4
• Calculated formula: C23 H24 Cl2 N2 O4
• Title of publication: Synthesis of (+)-Ambrisentan via Chiral Ketone-Catalyzed Asymmetric Epoxidation
• Authors of publication: Xianyou Peng; Peijun Li; Yian Shi
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 701 - 703
• a: 6.959 ± 0.0015 Å
• b: 17.159 ± 0.003 Å
• c: 19.174 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2289.6 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0817
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No