Information card for entry 7101291

Structure parameters

• Formula: C27 H24 N2 P2 S
• Calculated formula: C27 H24 N2 P2 S
• SMILES: S1C(=N\P(c2ccccc2)c2ccccc2)/N(P(c2ccccc2)c2ccccc2)CC1
• Title of publication: Intra- and inter-molecular phosphoryl migration in phosphinothiazolines, precursors to polynuclear complexes and bimetallic coordination polymers.
• Authors of publication: Pierre Braunstein; Margraf, Gunter; Pattacini, Roberto; Messaoudi, Abdelatif
• Journal of publication: Chemical Communications
• Year of publication: 2006
• Journal issue: 29
• a: 9.142 ± 0.0002 Å
• b: 10.076 ± 0.0002 Å
• c: 14.433 ± 0.0004 Å
• α: 92.14 ± 0.0009°
• β: 105.87 ± 0.0009°
• γ: 107.99 ± 0.0012°
• Cell volume: 1205.47 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0792
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1229
• Weighted residual factors for all reflections included in the refinement: 0.1401
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No