Information card for entry 4033766

Structure parameters

• Formula: C15 H22 O2 Sn
• Calculated formula: C15 H22 O2 Sn
• SMILES: [Sn](C)(C)(C)[C@]12O[C@@]3([C@@]45[C@@]1(CCCC4)[C@H]2[C@H]3C=C5)O.[Sn](C)(C)(C)[C@@]12O[C@]3([C@]45[C@]1(CCCC4)[C@@H]2[C@@H]3C=C5)O
• Title of publication: C-C Bond-Forming and Bond-Breaking Processes from the Reaction of Diesters with Me₃SnLi. Synthesis of Complex Bridged Polycycles and Dialkyl Aromatic Compounds.
• Authors of publication: Martínez-García, Lucas; Lobato, Rubén; Prado, Gustavo; Monje, Pablo; Sardina, F. Javier; Paleo, M. Rita
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 4
• Pages of publication: 1887 - 1897
• a: 6.3661 ± 0.001 Å
• b: 11.643 ± 0.002 Å
• c: 19.66 ± 0.002 Å
• α: 90°
• β: 92.225 ± 0.001°
• γ: 90°
• Cell volume: 1456.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0215
• Residual factor for significantly intense reflections: 0.0181
• Weighted residual factors for significantly intense reflections: 0.04
• Weighted residual factors for all reflections included in the refinement: 0.0411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No