Information card for entry 4029006

Structure parameters

• Formula: C21 H38 N2 O4 S2 Sn
• Calculated formula: C21 H36 N2 O4 S2 Sn
• SMILES: [Sn](C(=C)[C@@H]1[C@H](NS(=O)C(C)(C)C)CCN(S(=O)(=O)c2ccc(C)cc2)C1)(C)(C)C.O
• 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: 6.6611 ± 0.0011 Å
• b: 15.257 ± 0.002 Å
• c: 26.691 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2712.6 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.3073
• Residual factor for significantly intense reflections: 0.0731
• Weighted residual factors for significantly intense reflections: 0.1209
• Weighted residual factors for all reflections included in the refinement: 0.1757
• Goodness-of-fit parameter for all reflections included in the refinement: 0.897
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No