Information card for entry 4085731

Structure parameters

• Formula: C33 H42 N O4 P Si
• Calculated formula: C33 H42 N O4 P Si
• SMILES: P(=Nc1c(cccc1C(C)C)C(C)C)(/C(=C(\[Si](C)(C)C)C(=O)OC)C(=O)OC)(c1ccccc1)c1ccccc1
• Title of publication: Fine Tuning of the Substituents on the N-Geminal Phosphorus/Silicon-Based Lewis Pairs for the Synthesis ofZ-Type Silyliminophosphoranylalkenes
• Authors of publication: Li, Jiancheng; Li, Yan; Purushothaman, Indu; De, Susmita; Li, Bin; Zhu, Hongping; Parameswaran, Pattiyil; Ye, Qingsong; Liu, Weiping
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 17
• Pages of publication: 4209
• a: 10.5684 ± 0.0006 Å
• b: 10.7627 ± 0.0006 Å
• c: 15.5029 ± 0.001 Å
• α: 81.274 ± 0.005°
• β: 85.745 ± 0.005°
• γ: 68.583 ± 0.005°
• Cell volume: 1622.26 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0595
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No