Information card for entry 7152411

Structure parameters

• Formula: C21 H32 N P S Sn
• Calculated formula: C21 H32 N P S Sn
• SMILES: [Sn](c1c(P(=S)(N(C(C)C)C(C)C)c2ccccc2)cccc1)(C)(C)C
• Title of publication: Transformations of diphenylphosphinothioic acid tertiary amides mediated by directed ortho metallation.
• Authors of publication: El Hajjouji, Hajar; Belmonte, Eva; García-López, Jesús; Fernández, Ignacio; Iglesias, María José; Roces, Laura; García-Granda, Santiago; El Laghdach, Anas; López Ortiz, Fernando
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 29
• Pages of publication: 5647 - 5658
• a: 10.6237 ± 0.0001 Å
• b: 16.3773 ± 0.0002 Å
• c: 15.8989 ± 0.0002 Å
• α: 90°
• β: 125.406 ± 0.001°
• γ: 90°
• Cell volume: 2254.65 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0301
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0686
• Weighted residual factors for all reflections included in the refinement: 0.0708
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No