Information card for entry 4033774

Structure parameters

• Common name: JS2RL158
• Formula: C19 H22 O2 Sn
• Calculated formula: C19 H22 O2 Sn
• SMILES: [Sn](C)(C)(C)[C@@]12O[C@]3([C@H]4[C@@H]1[C@@]12[C@]3(CC=CC1)c1c4cccc1)O.[Sn](C)(C)(C)[C@]12O[C@@]3([C@@H]4[C@H]1[C@]12[C@@]3(CC=CC1)c1c4cccc1)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: 7.6944 ± 0.0001 Å
• b: 8.8116 ± 0.0002 Å
• c: 12.8831 ± 0.0003 Å
• α: 75.06 ± 0.001°
• β: 83.844 ± 0.001°
• γ: 85.42 ± 0.001°
• Cell volume: 837.84 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0299
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0535
• Weighted residual factors for all reflections included in the refinement: 0.0549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No