Information card for entry 4114208

Structure parameters

• Formula: C31 H53 N O2 Sn
• Calculated formula: C31 H53 N O2 Sn
• SMILES: [Sn](/C=C\[C@@H]1C[C@@](CCC1)(CCCC)OC(=O)Nc1ccccc1)(CCCC)(CCCC)CCCC.[Sn](/C=C\[C@H]1C[C@](CCC1)(CCCC)OC(=O)Nc1ccccc1)(CCCC)(CCCC)CCCC
• Title of publication: Addition of Organometallic Compounds to Tin-Containing Cyclic Ketones. Remote Stereocontrol Induced by the Stannyl Group
• Authors of publication: Asunción Barbero; Francisco J. Pulido; Juan A. Rincón
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 12049 - 12056
• a: 10.6 ± 0.04 Å
• b: 11.945 ± 0.014 Å
• c: 14.71 ± 0.05 Å
• α: 98.97 ± 0.19°
• β: 99.1 ± 0.3°
• γ: 111 ± 0.3°
• Cell volume: 1671 ± 10 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2748
• Residual factor for significantly intense reflections: 0.0721
• Weighted residual factors for significantly intense reflections: 0.1699
• Weighted residual factors for all reflections included in the refinement: 0.2835
• Goodness-of-fit parameter for all reflections included in the refinement: 0.863
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No