Information card for entry 1548400

Structure parameters

• Formula: C29 H32 Br N2 O5 P
• Calculated formula: C29 H32 Br N2 O5 P
• Title of publication: Diastereo- and enantioselective [3 + 3] cycloaddition of spirocyclopropyl oxindoles using both aldonitrones and ketonitrones
• Authors of publication: Peng-Wei Xu; Jia-Kuan Liu; Lan Shen; Zhong-Yan Cao; Xiao-Li Zhao; Jun Yan; Jian Zhou
• Journal of publication: Nature Communications
• Year of publication: 2017
• Journal volume: 8
• Pages of publication: 1619
• a: 9.6736 ± 0.0007 Å
• b: 12.6142 ± 0.0009 Å
• c: 12.7109 ± 0.0009 Å
• α: 108.99 ± 0.002°
• β: 99.303 ± 0.002°
• γ: 96.865 ± 0.002°
• Cell volume: 1422.5 ± 0.18 ų
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0675
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1544
• Weighted residual factors for all reflections included in the refinement: 0.1701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No