Information card for entry 7036298

Structure parameters

• Formula: C30 H33 Cl2 N O2 P2 Zn
• Calculated formula: C30 H33 Cl2 N O2 P2 Zn
• SMILES: [Zn]1(Cl)(Cl)[O]=P(c2c([P@](=[O]1)(N[C@H](C(C)(C)C)C)c1ccccc1)cccc2)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis of P-stereogenic diarylphosphinic amides by directed lithiation: transformation into tertiary phosphine oxides via methanolysis, aryne chemistry and complexation behaviour toward zinc(ii).
• Authors of publication: Del Águila-Sánchez, Miguel A; Navarro, Yolanda; García López, Jesús; Guedes, Guilherme P.; López Ortiz, Fernando
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 5
• Pages of publication: 2008 - 2022
• a: 9.8384 ± 0.0002 Å
• b: 17.1397 ± 0.0004 Å
• c: 17.4704 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2945.99 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0335
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0665
• Weighted residual factors for all reflections included in the refinement: 0.0685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No