Information card for entry 4062573

Structure parameters

• Formula: C33 H29 B N2
• Calculated formula: C33 H29 B N2
• SMILES: n1(cc[n+](c1)CC#C)CC#C.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Journal of publication: Organometallics
• Year of publication: 2004
• a: 14.606 ± 0.006 Å
• b: 8.78 ± 0.004 Å
• c: 20.378 ± 0.002 Å
• α: 90°
• β: 95.701 ± 0.019°
• γ: 90°
• Cell volume: 2600.4 ± 1.6 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No