Information card for entry 7204350

Structure parameters

• Formula: C27 H42 Sn
• Calculated formula: C27 H42 Sn
• SMILES: [Sn]([C@@H]1[C@@]2(CC[C@H](C1)C2(C)C)C)([C@@H]1[C@@]2(CC[C@H](C1)C2(C)C)C)(c1ccccc1)C
• Title of publication: Synthesis of chiral organotin reagents: synthesis of enantiomerically enriched bicyclo[2.2.1]hept-2-yl tin hydrides from camphor. X-Ray crystal structures of (dimethyl)[(1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]tin chloride and methyl(phenyl)bis[(1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]stannane
• Authors of publication: Helliwell, Madeleine; Thomas, Eric J.; Townsend, Linda A.
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2002
• Journal issue: 10
• Pages of publication: 1286
• a: 10.072 ± 0.002 Å
• b: 25.978 ± 0.003 Å
• c: 9.617 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2516.3 ± 0.8 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 3
• 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: 0.0472
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for all reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0282
• Goodness-of-fit parameter for all reflections: 2.086
• Goodness-of-fit parameter for significantly intense reflections: 2.149
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No