Information card for entry 4029004

Structure parameters

• Formula: C20 H34 N2 O3 S2 Sn
• Calculated formula: C20 H34 N2 O3 S2 Sn
• SMILES: [Sn](C(=C)[C@H]1[C@@H](NS(=O)C(C)(C)C)CN(S(=O)(=O)c2ccc(C)cc2)C1)(C)(C)C
• Title of publication: Regulation of Diastereoselectivity in the Carbocyclization of Allenyl (S)-N-tert-Butylsulfinimines through a Three-Component Assembly.
• Authors of publication: Kim, Jihyun; Kim, Hyuna; Kim, Nana; Yu, Chan-Mo
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 3
• Pages of publication: 1040
• a: 12.027 ± 0.001 Å
• b: 6.5477 ± 0.0005 Å
• c: 16.2446 ± 0.0013 Å
• α: 90°
• β: 106.17 ± 0.004°
• γ: 90°
• Cell volume: 1228.64 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0634
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0643
• Weighted residual factors for all reflections included in the refinement: 0.0703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No