Information card for entry 7006878

Structure parameters

• Common name: lithium 4-cyanophenoxide pyridine
• Formula: C39 H33 Li2 N7 O2
• Calculated formula: C39 H33 Li2 N7 O2
• Title of publication: 4-Methoxy- and 4-cyano-substituted lithium aryloxides: electronic effects of substituents on aggregation.
• Authors of publication: MacDougall, Dugald J.; Noll, Bruce C.; Kennedy, Alan R.; Henderson, Kenneth W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 15
• Pages of publication: 1875 - 1884
• a: 26.4622 ± 0.0009 Å
• b: 9.184 ± 0.0005 Å
• c: 17.4818 ± 0.0009 Å
• α: 90°
• β: 122.969 ± 0.002°
• γ: 90°
• Cell volume: 3564.4 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1142
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.1268
• Weighted residual factors for all reflections included in the refinement: 0.1474
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No