Information card for entry 4085726

Structure parameters

• Formula: C27 H27 Cl3 N O4 P Si
• Calculated formula: C27 H27 Cl3 N O4 P Si
• SMILES: P1(=[N]([Si](Cl)(Cl)(Cl)C(=C1C(=O)OC)C(=O)OC)c1c(cc(cc1C)C)C)(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: 12.518 ± 0.0005 Å
• b: 13.0742 ± 0.0006 Å
• c: 17.552 ± 0.0007 Å
• α: 90°
• β: 101.459 ± 0.004°
• γ: 90°
• Cell volume: 2815.4 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0729
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.0967
• Weighted residual factors for all reflections included in the refinement: 0.1061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No