Information card for entry 4100133

Structure parameters

• Formula: C110 H124 B N20 O4 P S4
• 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: 13.045 ± 0.006 Å
• b: 17.151 ± 0.008 Å
• c: 24.023 ± 0.008 Å
• α: 90°
• β: 92.21 ± 0.03°
• γ: 90°
• Cell volume: 5371 ± 4 ų
• Cell temperature: 205 ± 2 K
• Ambient diffraction temperature: 205 ± 2 K
• Number of distinct elements: 7
• 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