Information card for entry 4063022

Structure parameters

• Formula: C29 H44 B Li N6 O2
• Calculated formula: C29 H44 B Li N6 O2
• SMILES: [O]1(CCCC1)[Li]1([O]2CCCC2)[n]2[n](ccc2C)[B]([n]2nc(cc2)C)([n]2[n]1c(cc2)C)C1C(=C(C(=C1C)C)C)C
• Journal of publication: Organometallics
• Year of publication: 2004
• a: 9.8875 ± 0.001 Å
• b: 10.179 ± 0.0014 Å
• c: 17.176 ± 0.0015 Å
• α: 88.177 ± 0.009°
• β: 85.13 ± 0.008°
• γ: 64.541 ± 0.01°
• Cell volume: 1555.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No