Information card for entry 7100887

Structure parameters

• Formula: C32 H52 B N8 Na O4
• Calculated formula: C32 H52 B N8 Na O4
• SMILES: c1cc2C(C)(C)C[O](C)[Na]3456[n]2[n]1[B]([n]1ccc(C(C)(C)C[O]5C)[n]31)([n]1ccc(C(C)(C)C[O]6C)[n]41)[n]1ccc(C(C)(C)COC)[n]1
• Journal of publication: Chemical Communications
• Year of publication: 2006
• a: 13.3825 ± 0.001 Å
• b: 18.57 ± 0.002 Å
• c: 14.715 ± 0.002 Å
• α: 90°
• β: 97.993 ± 0.006°
• γ: 90°
• Cell volume: 3621.3 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No