Information card for entry 4083312

Structure parameters

• Formula: C48 H56 Li N O3 Si
• Calculated formula: C48 H56 Li N O3 Si
• Title of publication: N‒P Bond Cleavage Induced Ring Formation of Cyclosilazanes from Reactions of Aryl(phosphanyl)aminotrichlorosilanes with Lithium Alkynyls
• Authors of publication: Wang, Jinjin; Liu, Rui; Ruan, Wenqing; Li, Yan; Mondal, Kartik Chandra; Roesky, Herbert W.; Zhu, Hongping
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 11
• Pages of publication: 2696
• a: 20.9911 ± 0.0002 Å
• b: 19.1749 ± 0.0002 Å
• c: 21.725 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8744.36 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No