Information card for entry 4119732

Structure parameters

• Formula: C20 H22 N2 O2 S
• Calculated formula: C20 H22 N2 O2 S
• Title of publication: Catalytic Asymmetric Synthesis of Pyrroloindolines via a Rhodium(II)-Catalyzed Annulation of Indoles
• Authors of publication: Jillian E. Spangler; Huw M. L. Davies
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 6802 - 6805
• a: 10.0751 ± 0.0012 Å
• b: 10.7241 ± 0.0013 Å
• c: 16.6027 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1793.9 ± 0.4 ų
• 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: 0.05156
• Residual factor for significantly intense reflections: 0.048183
• Weighted residual factors for all reflections included in the refinement: 0.124917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05404
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No