Information card for entry 4072290

Structure parameters

• Formula: C18 H18 N3 P S
• Calculated formula: C18 H18 N3 P S
• SMILES: N(C)(C)/C=N/c1ncc(s1)P(c1ccccc1)c1ccccc1
• Title of publication: Thiazolyl Phosphine Ligands for Copper-Catalyzed Arylation and Vinylation of Nucleophiles in Organic and Aqueous Media
• Authors of publication: Oshovsky, Gennady V.; Ouali, Armelle; Xia, Ning; Zablocka, Maria; Boeré, René T.; Duhayon, Carine; Taillefer, Marc; Majoral, Jean Pierre
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 21
• Pages of publication: 5733
• a: 13.7417 ± 0.0013 Å
• b: 8.8007 ± 0.0009 Å
• c: 15.3125 ± 0.0015 Å
• α: 90°
• β: 111.659 ± 0.011°
• γ: 90°
• Cell volume: 1721.1 ± 0.3 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0661
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for all reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.0396
• Weighted residual factors for all reflections included in the refinement: 0.0396
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1308
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No