Information card for entry 1508354

Structure parameters

• Formula: C43 H56 Cl4 N2 P2 Pd2
• Calculated formula: C43 H56 Cl4 N2 P2 Pd2
• SMILES: [Pd]1(Cl)([P@]2([P@@]([Pd]3(Cl)[N](C)(C)[C@@H](C)c4cc5ccccc5cc34)(C(C)(C)C)c3ccccc23)C(C)(C)C)[N](C)(C)[C@@H](C)c2cc3ccccc3cc12.ClCCl
• Title of publication: Synthesis, Reactivity, and Resolution of a C(2)-Symmetric, P-Stereogenic Benzodiphosphetane, a Building Block for Chiral Bis(phosphines).
• Authors of publication: Reynolds, Samantha C.; Hughes, Russell P.; Glueck, David S.; Rheingold, Arnold L.
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 16
• Pages of publication: 4238 - 4241
• a: 9.401 ± 0.0016 Å
• b: 20.75 ± 0.004 Å
• c: 22.696 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4427.3 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0299
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0692
• Weighted residual factors for all reflections included in the refinement: 0.0711
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No