Information card for entry 4112858

Structure parameters

• Formula: C16 H24 P2 S2
• Calculated formula: C16 H24 P2 S2
• SMILES: c1(c(cccc1)[P@]1([C@@H](C)CCC1)=S)[P@]1([C@@H](C)CCC1)=S
• Title of publication: Stereoselective Cyclization and Pyramidal Inversion Strategies for P-Chirogenic Phospholane Synthesis
• Authors of publication: Garrett Hoge
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 9920 - 9921
• a: 8.3031 ± 0.0012 Å
• b: 13.308 ± 0.0019 Å
• c: 16.049 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1773.4 ± 0.4 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1024
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.1384
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No