Information card for entry 4102257

Structure parameters

• Formula: C30 H36 Cl2 N2 O2 S2
• Calculated formula: C30 H36 Cl2 N2 O2 S2
• SMILES: Clc1sc2c(c1)[C@]1(CCN3C(=O)CC[C@H]3[C@@H]1CC2)C.Clc1sc2c(c1)[C@]1(CCN3C(=O)CC[C@H]3[C@@H]1CC2)C
• Title of publication: Enantioselective Thiourea-Catalyzed Cationic Polycyclizations
• Authors of publication: Robert R. Knowles; Song Lin; Eric N. Jacobsen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 5030 - 5032
• a: 13.024 ± 0.003 Å
• b: 13.024 ± 0.003 Å
• c: 16.759 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2842.7 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 78
• Hermann-Mauguin space group symbol: P 43
• Hall space group symbol: P 4cw
• Residual factor for all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0771
• Weighted residual factors for all reflections included in the refinement: 0.0809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No