Information card for entry 4118616

Structure parameters

• Chemical name: (3,5-dinitro)-(3-(2,2-dimethylvinyl)-4,6-dimethoxy-2,3-dihydroindolyl)methanone
• Formula: C87 H89 Cl2 N13 O28
• Calculated formula: C87 H89 Cl2 N13 O28
• Title of publication: One-Point Binding Ligands for Asymmetric Gold Catalysis: Phosphoramidites with a TADDOL-Related but Acyclic Backbone
• Authors of publication: Henrik Teller; Matthieu Corbet; Luca Mantilli; Gopinadhanpillai Gopakumar; Richard Goddard; Walter Thiel; Alois Fürstner
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 15331 - 15342
• a: 24.467 ± 0.0011 Å
• b: 7.0733 ± 0.0003 Å
• c: 15.2093 ± 0.0007 Å
• α: 90°
• β: 122.791 ± 0.002°
• γ: 90°
• Cell volume: 2212.73 ± 0.18 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0625
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1696
• Weighted residual factors for all reflections included in the refinement: 0.1712
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: Cu-Kα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No