Information card for entry 4313499

Structure parameters

• Formula: C9 H20 Li N3 O2 S
• Calculated formula: C9 H20 Li N3 O2 S
• Title of publication: Aggregation Patterns in α,α'-Stabilized Carbanions: Assembly of a Sodium Cage Polymer by Slip-Stacking of Dimers
• Authors of publication: Kenneth W. Henderson; Alan R. Kennedy; Dugald J. MacDougall
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 2736 - 2741
• a: 8.397 ± 0.0004 Å
• b: 8.702 ± 0.0004 Å
• c: 11.024 ± 0.0006 Å
• α: 85.483 ± 0.002°
• β: 69.939 ± 0.002°
• γ: 64.124 ± 0.003°
• Cell volume: 678.39 ± 0.06 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0902
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No