Information card for entry 4024736

Structure parameters

• Formula: C27 H40 N2 O5 S Sn
• Calculated formula: C27 H40 N2 O5 S Sn
• SMILES: [Sn]([C@@H]1OC[C@H](N1S(=O)(=O)c1ccc(N(=O)=O)cc1)c1ccccc1)(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: 7.5154 ± 0.0012 Å
• b: 15.5547 ± 0.0017 Å
• c: 49.389 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5773.6 ± 1.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 293 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: 0.0517
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for significantly intense reflections: 1.89
• Goodness-of-fit parameter for all reflections included in the refinement: 1.9
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No