Information card for entry 7103653

Structure parameters

• Formula: C29 H32 P2 S2
• Calculated formula: C29 H32 P2 S2
• SMILES: [P@]12(=S)[C@@H](C)C[C@@H]([P@@]3(=S)C(=C(C(=C3c3ccccc3)C)C)C1=C(C(=C2c1ccccc1)C)C)C
• Authors of publication: C.Ortega-Alfaro; M.Gouygou; J.-C.Daran
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2003
• a: 12.2245 ± 0.001 Å
• b: 16.6665 ± 0.001 Å
• c: 13.3653 ± 0.0013 Å
• α: 90°
• β: 90.08 ± 0.01°
• γ: 90°
• Cell volume: 2723 ± 0.4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0834
• Weighted residual factors for all reflections included in the refinement: 0.0862
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7093 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No