Information card for entry 1543378

Structure parameters

• Formula: C65 H58 Cl2 O4 P4
• Calculated formula: C65 H58 Cl2 O4 P4
• Title of publication: Designing P-Chirogenic 1,2-Diphosphinobenzenes at Both P-Centers Using P(III)-Phosphinites
• Authors of publication: Bayardon, Jérôme; Rousselin, Yoann; Jugé, Sylvain
• Journal of publication: Organic Letters
• Year of publication: 2016
• a: 21.1345 ± 0.0007 Å
• b: 7.5878 ± 0.0004 Å
• c: 19.4577 ± 0.0008 Å
• α: 90°
• β: 113.067 ± 0.002°
• γ: 90°
• Cell volume: 2870.8 ± 0.2 ų
• Cell temperature: 115 ± 2 K
• Ambient diffraction temperature: 115 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0444
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No