Information card for entry 4024734

Structure parameters

• Formula: C31 H50 N O3 S Sn
• Calculated formula: C31 H50 N O3 S Sn
• SMILES: [Sn]([C@H](N(S(=O)(=O)c1ccccc1)[C@@H](CO)c1ccccc1)CCCC)(CCCC)(CCCC)CCCC
• Title of publication: Synthesis of Highly Enantioenriched Chiral α-Aminoorganotins via Diastereoselective Ring Opening of Chiral N-(Arenesulfonyl) 2-Tributylstannyloxazolidines
• Authors of publication: Vincent Coeffard; Erwan Le Grognec; Isabelle Beaudet; Michel Evain; Jean-Paul Quintard
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 5822 - 5838
• a: 8.2236 ± 0.0007 Å
• b: 20.444 ± 0.003 Å
• c: 38.045 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6396.3 ± 1.4 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.155
• Residual factor for significantly intense reflections: 0.0982
• Weighted residual factors for significantly intense reflections: 0.1648
• Weighted residual factors for all reflections included in the refinement: 0.1802
• Goodness-of-fit parameter for significantly intense reflections: 2.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.93
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No