Information card for entry 4074882

Structure parameters

• Formula: C34 H48 P2 S Si
• Calculated formula: C34 H48 P2 S Si
• SMILES: S=P(C(=Pc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)[Si](C)(C)C)(c1ccccc1)c1ccccc1
• Title of publication: Structural and Coordination Properties of 3,3-Diphenyl-1- (2,4,6-tri-tert-butylphenyl)-2-(trimethylsilyl)-1,3-diphosphapropene Derivatives Showing Interesting Conformational Features
• Authors of publication: Ito, Shigekazu; Nishide, Katsunori; Yoshifuji, Masaaki
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 6
• Pages of publication: 1424 - 1430
• a: 17.706 ± 0.002 Å
• b: 27.18 ± 0.002 Å
• c: 13.821 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6651.3 ± 1.3 ų
• Cell temperature: 133 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for all reflections included in the refinement: 0.1489
• Goodness-of-fit parameter for all reflections included in the refinement: 1.193
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No