Information card for entry 4071161

Structure parameters

• Formula: C20 H34 Cl2 Sn
• Calculated formula: C20 H34 Cl2 Sn
• SMILES: [Sn](Cl)(Cl)(C[C@@H]1[C@H]2C([C@@H](CC1)C2)(C)C)C[C@@H]1[C@H]2C([C@@H](CC1)C2)(C)C
• Title of publication: Optically Active Organotin Compounds Derived from β-Pinene. The Quest for Chiral Polystannanes†
• Authors of publication: Beckmann, Jens; Duthie, Andrew; Grassmann, Marian; Semisch, Annetta
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 7
• Pages of publication: 1495
• a: 19.346 ± 0.005 Å
• b: 11.282 ± 0.003 Å
• c: 30.018 ± 0.007 Å
• α: 90°
• β: 102.351 ± 0.005°
• γ: 90°
• Cell volume: 6400 ± 3 ų
• Cell temperature: 133 K
• Ambient diffraction temperature: 133 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0833
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No