Information card for entry 4077636

Structure parameters

• Formula: C40 H34 Li2 O
• Calculated formula: C40 H34 Li2 O
• SMILES: [c]12(c(cccc1c1ccccc1)c1ccccc1)[Li]([O]1CCCC1)[c]1(c(cccc1c1ccccc1)c1ccccc1)[Li]2
• 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: 12.3391 ± 0.001 Å
• b: 15.5925 ± 0.0013 Å
• c: 16.5319 ± 0.0014 Å
• α: 90°
• β: 101.176 ± 0.002°
• γ: 90°
• Cell volume: 3120.4 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0718
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1324
• Weighted residual factors for all reflections included in the refinement: 0.1477
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No