Information card for entry 7008000

Structure parameters

• Formula: C20 H42 N4 P2 S
• Calculated formula: C20 H42 N4 P2 S
• SMILES: P(N(CC)CC)(c1sc(P(N(CC)CC)N(CC)CC)cc1)N(CC)CC
• Title of publication: Synthesis and auration of primary and di-primary heteroaryl-phosphines.
• Authors of publication: Reiter, Stephan A.; Nogai, Stefan D.; Schmidbaur, Hubert
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 2
• Pages of publication: 247 - 255
• a: 13.2635 ± 0.0003 Å
• b: 8.0961 ± 0.0002 Å
• c: 23.8229 ± 0.0005 Å
• α: 90°
• β: 102.19 ± 0.002°
• γ: 90°
• Cell volume: 2500.49 ± 0.1 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1416
• Weighted residual factors for all reflections included in the refinement: 0.1438
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No