Information card for entry 7039265

Structure parameters

• Formula: C27 H23 N3 O3 P2 S
• Calculated formula: C27 H23 N3 O3 P2 S
• 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: 13.2093 ± 0.0012 Å
• b: 12.8509 ± 0.0012 Å
• c: 19.0029 ± 0.0014 Å
• α: 90°
• β: 126.095 ± 0.005°
• γ: 90°
• Cell volume: 2606.6 ± 0.4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0372
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No