Information card for entry 7108908

Structure parameters

• Formula: C32 H32 N O6 S
• Calculated formula: C32 H32 N O6 S
• Title of publication: Phosphine-catalyzed [3+2] annulation of α-substituted allenoates with ester-activated α,β-unsaturated imines: a novel variation of the Lu [3+2] cycloaddition reaction
• Authors of publication: Tian, Junjun; He, Zhengjie
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2013
• Journal volume: 49
• Journal issue: 20
• Pages of publication: 2058 - 2060
• a: 9.2454 ± 0.0018 Å
• b: 12.053 ± 0.002 Å
• c: 14.31 ± 0.003 Å
• α: 69.9 ± 0.03°
• β: 86.02 ± 0.03°
• γ: 87.63 ± 0.03°
• Cell volume: 1493.6 ± 0.6 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0998
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1345
• Weighted residual factors for all reflections included in the refinement: 0.155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No