Information card for entry 4123789

Structure parameters

• Formula: C27.5 H30 Cl N O5
• Calculated formula: C27.5 H29 Cl N O5
• Title of publication: Catalytic enantioselective intermolecular desymmetrization of azetidines.
• Authors of publication: Wang, Zhaobin; Sheong, Fu Kit; Sung, Herman H. Y.; Williams, Ian D.; Lin, Zhenyang; Sun, Jianwei
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 18
• Pages of publication: 5895 - 5898
• a: 24.7884 ± 0.0005 Å
• b: 4.9779 ± 0.00009 Å
• c: 20.9526 ± 0.0004 Å
• α: 90°
• β: 104.037 ± 0.002°
• γ: 90°
• Cell volume: 2508.23 ± 0.09 ų
• Cell temperature: 99.9 ± 0.3 K
• Ambient diffraction temperature: 99.9 ± 0.3 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: 0.0457
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No