Information card for entry 4100134

Structure parameters

• Formula: C55 H55 B N22 O
• Calculated formula: C36 H32 B N20
• SMILES: [B](c1ccc(cc1)c1nc(nc(n1)N)N)(c1ccc(cc1)c1nc(nc(n1)N)N)(c1ccc(cc1)c1nc(nc(n1)N)N)c1ccc(cc1)c1nc(nc(n1)N)N
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 12.601 ± 0.0013 Å
• b: 18.1778 ± 0.0017 Å
• c: 23.825 ± 0.002 Å
• α: 90°
• β: 97.436 ± 0.005°
• γ: 90°
• Cell volume: 5411.4 ± 0.9 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No