Information card for entry 4075831

Structure parameters

• Common name: 4,5-Dilithio-9,9-dimethylxanthene-1.5(tmeda)
• Formula: C48 H72 Li4 N6 O2
• Calculated formula: C48 H72 Li4 N6 O2
• SMILES: [Li]12([N](CC[N]1(C)C)(C)C)[c]13cccc4[c]53[Li]361[O]5c1[c]5(cccc1C4(C)C)[Li]1([N](CC[N]1(C)C)(C)C)[c]14[c]78[Li]51([O]7c1c(ccc[c]261)C(c8ccc4)(C)C)[N](C)(CC[N]3(C)C)C
• Title of publication: Synthesis, Structure, and Cyclic Voltammetry of 4,6-Bis(dimesitylboryl)dibenzofuran: Isolation of 4,6-Dilithiobenzofuran and 4,5-Dilithio-9,9-dimethylxanthene as tmeda Adducts
• Authors of publication: Wang, Huadong; Gabbaï, François P.
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 12
• Pages of publication: 2898
• a: 13.03 ± 0.002 Å
• b: 17.639 ± 0.003 Å
• c: 20.807 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4782.2 ± 1.4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0733
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1329
• Weighted residual factors for all reflections included in the refinement: 0.1542
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No