Information card for entry 7039264

Structure parameters

• Formula: C17 H17 N4 P S
• Calculated formula: C17 H17 N4 P S
• SMILES: P(c1sc(nn1)/N=C/N(C)C)(c1ccccc1)c1ccccc1
• Title of publication: Thiazoyl phosphines. Design, reactivity, and complexation.
• Authors of publication: Zablocka, Maria; Oshovsky, Gennady; Duhayon, Carine; Ladeira, Sonia; Caminade, Anne-Marie; Mignani, Serge; Majoral, Jean-Pierre
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 23
• Pages of publication: 9695 - 9703
• a: 10.3954 ± 0.0008 Å
• b: 18.9943 ± 0.0019 Å
• c: 8.6719 ± 0.0006 Å
• α: 90°
• β: 91.398 ± 0.009°
• γ: 90°
• Cell volume: 1711.8 ± 0.2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1131
• Residual factor for significantly intense reflections: 0.0811
• Weighted residual factors for all reflections: 0.0784
• Weighted residual factors for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9735
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No