Information card for entry 4074321

Structure parameters

• Formula: C38 H56 Li2 N2 O4
• Calculated formula: C38 H56 Li2 N2 O4
• Title of publication: Solution and Solid-State Structures of Lithiated Phenyloxazolines
• Authors of publication: Jantzi, Kevin L.; Guzei, Ilia A.; Reich, Hans J.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 22
• Pages of publication: 5390
• a: 11.3874 ± 0.0008 Å
• b: 12.8331 ± 0.0009 Å
• c: 15.1799 ± 0.001 Å
• α: 108.836 ± 0.001°
• β: 90.405 ± 0.001°
• γ: 115.692 ± 0.001°
• Cell volume: 1863.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0528
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1313
• Weighted residual factors for all reflections included in the refinement: 0.1356
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No