Information card for entry 4076669

Structure parameters

• Chemical name: 1,3-Diphenyl-2,4-bis(trimethylsilylcyclobutadiene bis[1,2-dimethoxyethane(lithium)]
• Formula: C30 H48 Li2 O4 Si2
• Calculated formula: C30 H48 Li2 O4 Si2
• Title of publication: Aromaticity of the Cyclobutadiene Dianion: Structural Characteristics and Magnetic Properties
• Authors of publication: Sekiguchi, Akira; Matsuo, Tsukasa; Tanaka, Masanobu
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 6
• Pages of publication: 1072
• a: 10.686 ± 0.0006 Å
• b: 10.943 ± 0.0008 Å
• c: 15.885 ± 0.0011 Å
• α: 77.443 ± 0.003°
• β: 72.937 ± 0.004°
• γ: 70.247 ± 0.004°
• Cell volume: 1656.8 ± 0.2 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0837
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.1679
• Weighted residual factors for all reflections included in the refinement: 0.1827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No