Information card for entry 7008002

Structure parameters

• Formula: C20 H42 N4 O P2
• Calculated formula: C20 H42 N4 O P2
• SMILES: P(N(CC)CC)(c1oc(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: 10.8376 ± 0.0001 Å
• b: 15.8571 ± 0.0002 Å
• c: 14.3424 ± 0.0002 Å
• α: 90°
• β: 90.2038 ± 0.0006°
• γ: 90°
• Cell volume: 2464.77 ± 0.05 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0245
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0619
• Weighted residual factors for all reflections included in the refinement: 0.0626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No