Information card for entry 7120524

Structure parameters

• Formula: C22 H34 N O3 P Pd S
• Calculated formula: C22 H34 N O3 P Pd S
• SMILES: [Pd]1([P](C)(C(C)(C)C)C(C)(C)C)(OS(=O)(=O)C)[NH2]c2c(c3c1cccc3)cccc2
• Title of publication: Spectroscopic Characterization of Diiodomethylzinc Iodide: Application to the Stereoselective Synthesis and Functionalization of Iodocyclopropanes
• Authors of publication: Allouche, Emmanuelle M. D.; Taillemaud, Sylvain; Charette, André B.
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 9.1931 ± 0.0005 Å
• b: 11.6107 ± 0.0006 Å
• c: 12.2025 ± 0.0006 Å
• α: 76.78 ± 0.002°
• β: 86.549 ± 0.002°
• γ: 67.313 ± 0.002°
• Cell volume: 1169.28 ± 0.11 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0264
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0659
• Weighted residual factors for all reflections included in the refinement: 0.0663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No