Information card for entry 4115651

Structure parameters

• Formula: C30 H48 Li2 N2 O2
• Calculated formula: C30 H48 Li2 N2 O2
• SMILES: [Li]12([O]3CCCC3)[c]3(c(cccc3)C[N]1(C)C(C)C)[Li]1([O]3CCCC3)[c]23c(cccc3)C[N]1(C)C(C)C
• Title of publication: Amine-Chelated Aryllithium Reagents Structure and Dynamics
• Authors of publication: Hans J. Reich; Wayne S. Goldenberg; Birgir Ö. Gudmundsson; Aaron W. Sanders; Klaus J. Kulicke; Katya Simon; Ilia A. Guzei
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 8067 - 8079
• a: 8.8594 ± 0.0009 Å
• b: 9.8398 ± 0.001 Å
• c: 10.4018 ± 0.0011 Å
• α: 117.115 ± 0.002°
• β: 102.521 ± 0.002°
• γ: 98.701 ± 0.002°
• Cell volume: 754.58 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0742
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1497
• Weighted residual factors for all reflections included in the refinement: 0.1616
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No