Information card for entry 4105035

Structure parameters

• Chemical name: (E)-1,2-bis(1,1,3,3,5,5,7,7-octaethyl-s-hydrindacen-4-yl)-2- (2-naphtyl)phosphasilene toluene solvate
• Formula: C73 H105 P Si
• Calculated formula: C73 H105 P Si
• SMILES: P(=[Si](/c1c2C(CC(c2cc2C(CC(c12)(CC)CC)(CC)CC)(CC)CC)(CC)CC)c1cc2c(cc1)cccc2)\c1c2C(CC(c2cc2C(CC(c12)(CC)CC)(CC)CC)(CC)CC)(CC)CC.c1(ccccc1)C
• Title of publication: π-Conjugated Phosphasilenes Stabilized by Fused-Ring Bulky Groups
• Authors of publication: Baolin Li; Tsukasa Matsuo; Daisuke Hashizume; Hiroyuki Fueno; Kazuyoshi Tanaka; Kohei Tamao
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 13222 - 13223
• a: 11.762 ± 0.004 Å
• b: 16.793 ± 0.006 Å
• c: 17.517 ± 0.006 Å
• α: 114.21 ± 0.007°
• β: 90.569 ± 0.004°
• γ: 94.77 ± 0.003°
• Cell volume: 3141 ± 1.9 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: 0.1354
• Residual factor for significantly intense reflections: 0.0784
• Weighted residual factors for significantly intense reflections: 0.1888
• Weighted residual factors for all reflections included in the refinement: 0.2391
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No