Information card for entry 4100132

Structure parameters

• Formula: C100 H131 B N24 O8 S8
• 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: 12.845 ± 0.008 Å
• b: 17.134 ± 0.01 Å
• c: 23.896 ± 0.016 Å
• α: 90°
• β: 92.11 ± 0.05°
• γ: 90°
• Cell volume: 5256 ± 6 ų
• Cell temperature: 225 ± 2 K
• Ambient diffraction temperature: 225 ± 2 K
• Number of distinct elements: 6
• 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