Information card for entry 8101572

Structure parameters

• Formula: C29 H40 Li N3 O
• Calculated formula: C29 H40 Li N3 O
• SMILES: N(=C=C1C=Cc2ccccc12)[Li]1([N]34CCCC[C@H]3[C@H]2C[C@@H](C4)[C@@H]3[N]1(C2)CCCC3)O1CCCC1
• Title of publication: Crystal structure of (1-cyano-indenyl-N-((-)spateine-N,N')-(tetrafuran-O)-lithium, C~29~H~40~LiN~3~O
• Authors of publication: Ledig, Burkhard; 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: 511 - 512
• a: 8.403 ± 0.001 Å
• b: 17.024 ± 0.002 Å
• c: 9.406 ± 0.002 Å
• α: 90°
• β: 100.805 ± 0.009°
• γ: 90°
• Cell volume: 1321.7 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1127
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No