Information card for entry 4033772

Structure parameters

• Formula: C15 H20 O2 Sn
• Calculated formula: C15 H20 O2 Sn
• SMILES: [C@@]12([C@@]34CC=CC[C@@]53C=C[C@H]([C@@H]14)[C@@]5(O2)O)[Sn](C)(C)C.[C@]12([C@]34CC=CC[C@]53C=C[C@@H]([C@H]14)[C@]5(O2)O)[Sn](C)(C)C
• 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: 17.744 ± 0.005 Å
• b: 6.791 ± 0.002 Å
• c: 24.079 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2901.5 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0591
• Weighted residual factors for all reflections included in the refinement: 0.0651
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No