Information card for entry 7110676

Structure parameters

• Formula: C45 H86 Li4 O4 Si8
• Calculated formula: C45 H86 Li4 O4 Si8
• SMILES: [C]1234=[C]56[C]78=[C]9%10%11[C]%12%131[C]1%14%15[Li]4%12([C]42([Li]36([C]5([Si]([C]27[Li]8%10([C]9([Li]%11%131[O]1CCCC1)([Si]%15(C)C)[Si](C)(C)C[Si]2(C)C)[O]1CCCC1)(C)C)[Si](C)(C)C[Si]4(C)C)[O]1CCCC1)[Si](C)(C)C[Si]%14(C)C)[O]1CCCC1
• Title of publication: Isolation and characterization of the tetralithium salt of [5]radialene tetraanion stabilized by silyl groups
• Authors of publication: Matsuo, Tsukasa; Fure, Hidetoshi; Sekiguchi, Akira
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 19
• Pages of publication: 1981
• a: 48.328 ± 0.003 Å
• b: 13.47 ± 0.001 Å
• c: 21.676 ± 0.001 Å
• α: 90°
• β: 115.003 ± 0.003°
• γ: 90°
• Cell volume: 12788.2 ± 1.4 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 5
• 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: 0.0775
• Residual factor for significantly intense reflections: 0.0775
• Weighted residual factors for significantly intense reflections: 0.2358
• Weighted residual factors for all reflections included in the refinement: 0.2358
• Goodness-of-fit parameter for all reflections included in the refinement: 1.947
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No