Information card for entry 4083311

Structure parameters

• Formula: C24 H27 Cl3 N P Si
• Calculated formula: C24 H27 Cl3 N P Si
• SMILES: Cl[Si](Cl)(Cl)N(P(c1ccccc1)c1ccccc1)c1c(cccc1C(C)C)C(C)C
• 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: 12.199 ± 0.002 Å
• b: 13.993 ± 0.003 Å
• c: 14.587 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2490 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0318
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.0763
• Goodness-of-fit parameter for all reflections included in the refinement: 1.157
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No