Information card for entry 4020401

Structure parameters

• Formula: C20 H30 Li2 O4 S2
• Calculated formula: C20 H30 Li2 O4 S2
• SMILES: s1ccc2[c]31[Li]([O](C2)C)([O]1CCCC1)[c]12c(ccs1)C[O]([Li]32[O]1CCCC1)C
• Title of publication: Solution Structure and Chelation Properties of 2-Thienyllithium Reagents
• Authors of publication: Kevin L. Jantzi; Craig L. Puckett; Ilia A. Guzei; Hans J. Reich
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 7520 - 7529
• a: 8.047 ± 0.002 Å
• b: 8.266 ± 0.002 Å
• c: 10.044 ± 0.003 Å
• α: 101.308 ± 0.004°
• β: 106.61 ± 0.004°
• γ: 113.598 ± 0.004°
• Cell volume: 548.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No