Information card for entry 4344904

Structure parameters

• Formula: C56 H94 Li2 O4
• Calculated formula: C56 H94 Li2 O4
• SMILES: c1(c2C(CC(c2cc2C(CC(c12)(C)C)(CC)CC)(CC)CC)(C)C)[O]1[Li]([O](CC)CC)[O](c2c3C(CC(c3cc3C(CC(c23)(C)C)(CC)CC)(CC)CC)(C)C)[Li]1[O](CC)CC
• Title of publication: Synthesis and Structural Characterization of Lithium and Titanium Complexes Bearing a Bulky Aryloxide Ligand Based on a Rigid Fused-Ring s-Hydrindacene Skeleton.
• Authors of publication: Kanazawa, Shoya; Ohira, Taishi; Goda, Shun; Hayakawa, Naoki; Tanikawa, Tomoharu; Hashizume, Daisuke; Ishida, Yutaka; Kawaguchi, Hiroyuki; Matsuo, Tsukasa
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 13
• Pages of publication: 6643 - 6652
• a: 10.167 ± 0.006 Å
• b: 11.431 ± 0.008 Å
• c: 12.675 ± 0.009 Å
• α: 85.36 ± 0.04°
• β: 80.92 ± 0.04°
• γ: 68.61 ± 0.03°
• Cell volume: 1354 ± 1.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1493
• Residual factor for significantly intense reflections: 0.0988
• Weighted residual factors for significantly intense reflections: 0.1781
• Weighted residual factors for all reflections included in the refinement: 0.2032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No