Information card for entry 4063595

Structure parameters

• Formula: C30 H44 Li2 O6
• Calculated formula: C30 H44 Li2 O6
• SMILES: [cH]1([cH]2[c]34[c]5(cccc4)[cH]14)[Li]23451([O](C)CC[O]1C)[O](C)CC[O](C)[Li]12345([O](C)CC[O]1C)[cH]1[cH]2[c]23cccc[c]42[cH]15
• Title of publication: Revealing Coordination Patterns in C5-Cyclic Lithium Organics
• Authors of publication: Michel, Reent; Herbst-Irmer, Regine; Stalke, Dietmar
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 16
• Pages of publication: 4379
• a: 8.881 ± 0.002 Å
• b: 13.654 ± 0.002 Å
• c: 12.272 ± 0.002 Å
• α: 90°
• β: 90.04 ± 0.02°
• γ: 90°
• Cell volume: 1488.1 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0424
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No