Information card for entry 8101571

Structure parameters

• Formula: C16 H22 Li N O4
• Calculated formula: C16 H22 Li N O4
• SMILES: N(=C=Cc1ccccc1)[Li]123[O]4CC[O]1CC[O]2CC[O]3CC4
• Title of publication: Crystal structure of (benzylcyano-N)-(1,4,7,10-tetraoxocyclodecane-O,O',O'',O''')-lithium, C~16~H~22~LiNO~4~
• Authors of publication: Langlotz, Ira; Marsch, Michael; Harms, Klaus; Boche, Gernot
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 1999
• Journal volume: 214
• Journal issue: 4
• Pages of publication: 509 - 510
• a: 13.725 ± 0.001 Å
• b: 13.261 ± 0.001 Å
• c: 18.083 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3291.2 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0786
• Weighted residual factors for significantly intense reflections: 0.2118
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No