Information card for entry 4077637

Structure parameters

• Formula: C34 H33 Li O2
• Calculated formula: C34 H33 Li O2
• SMILES: [Li]([O]1CCCC1)([O]1CCCC1)c1c(cccc1c1cccc2ccccc12)c1cccc2ccccc12
• Title of publication: Synthesis and X-ray Crystal Structure Determination of Tetrahydrofuran Adducts of Two Terphenyllithium Compounds†
• Authors of publication: Rabe, Gerd W.; Sommer, Roger D.; Rheingold, Arnold L.
• Journal of publication: Organometallics
• Year of publication: 2000
• Journal volume: 19
• Journal issue: 25
• Pages of publication: 5537
• a: 7.7747 ± 0.0007 Å
• b: 20.33 ± 0.002 Å
• c: 16.8532 ± 0.0017 Å
• α: 90°
• β: 97.085 ± 0.002°
• γ: 90°
• Cell volume: 2643.5 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1213
• Residual factor for significantly intense reflections: 0.0953
• Weighted residual factors for significantly intense reflections: 0.2114
• Weighted residual factors for all reflections included in the refinement: 0.2307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No