Information card for entry 4033767

Structure parameters

• Formula: C19 H22 O2 Sn
• Calculated formula: C19 H22 O2 Sn
• SMILES: [C@@]12([C@@]34Cc5ccccc5C[C@@]53C=C[C@H]([C@@H]14)[C@@]5(O2)O)[Sn](C)(C)C.[C@]12([C@]34Cc5ccccc5C[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: 6.496 ± 0.005 Å
• b: 9.534 ± 0.005 Å
• c: 14.051 ± 0.005 Å
• α: 80.55 ± 0.005°
• β: 85.234 ± 0.005°
• γ: 88.217 ± 0.005°
• Cell volume: 855.3 ± 0.9 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: 0.0374
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No